CID 15888232

3662-95-1

Structural Information

Molecular Formula
C19H28N2O2
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC[C@@H]4[C@@]3(CC5=NON=C5C4)C
InChI
InChI=1S/C19H28N2O2/c1-18-8-7-14-12(13(18)5-6-17(18)22)4-3-11-9-15-16(21-23-20-15)10-19(11,14)2/h11-14,17,22H,3-10H2,1-2H3/t11-,12-,13-,14-,17-,18-,19-/m0/s1
InChIKey
QXSGBQLLOLAIIG-VWJMYWFESA-N
Compound name
(1S,2S,10S,13R,14S,17S,18S)-2,18-dimethyl-6-oxa-5,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4,7-dien-17-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

316.2151 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.22238 177.6
[M+Na]+ 339.20432 184.1
[M-H]- 315.20782 179.9
[M+NH4]+ 334.24892 198.6
[M+K]+ 355.17826 179.0
[M+H-H2O]+ 299.21236 169.5
[M+HCOO]- 361.21330 184.2
[M+CH3COO]- 375.22895 186.2
[M+Na-2H]- 337.18977 177.6
[M]+ 316.21455 172.1
[M]- 316.21565 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.