Dendramine (C16H25NO3)

Structural Information

Molecular Formula

SMILES

CC(C)[C@@H]1[C@@H]2[C@@H]3[C@]4([C@H](CC[C@]4([C@H]1C(=O)O2)O)CN3C)C

InChI

InChI=1S/C16H25NO3/c1-8(2)10-11-14(18)20-12(10)13-15(3)9(7-17(13)4)5-6-16(11,15)19/h8-13,19H,5-7H2,1-4H3/t9-,10+,11-,12-,13-,15-,16-/m1/s1

InChIKey

QSNCUGULHPBRGR-FYPZSMAZSA-N

Compound name

(1S,4S,7R,8S,11R,12R,13S)-7-hydroxy-2,12-dimethyl-13-propan-2-yl-10-oxa-2-azatetracyclo[5.4.1.18,11.04,12]tridecan-9-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	280.190716	167.0
[M+Na]+	302.172658	175.2
[M-H]-	278.176164	169.0
[M+NH4]+	297.217263	193.2
[M+K]+	318.146598	171.9
[M+H-H2O]+	262.180700	164.8
[M+HCOO]-	324.181641	177.6
[M+CH3COO]-	338.197291	178.1
[M+Na-2H]-	300.158106	166.2
[M]+	279.18289142	167.9
[M]-	279.18398858	167.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

280.190716

167.0

[M+Na]+

302.172658

175.2

[M-H]-

278.176164

169.0

[M+NH4]+

297.217263

193.2

[M+K]+

318.146598

171.9

[M+H-H2O]+

262.180700

164.8

[M+HCOO]-

324.181641

177.6

[M+CH3COO]-

338.197291

178.1

[M+Na-2H]-

300.158106

166.2

[M]+

279.18289142

167.9

[M]-

279.18398858

167.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Dendramine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe