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]+ 317.222376 177.6
[M+Na]+ 339.204318 184.1
[M-H]- 315.207824 179.9
[M+NH4]+ 334.248923 198.6
[M+K]+ 355.178258 179.0
[M+H-H2O]+ 299.212360 169.5
[M+HCOO]- 361.213301 184.2
[M+CH3COO]- 375.228951 186.2
[M+Na-2H]- 337.189766 177.6
[M]+ 316.21455142 172.1
[M]- 316.21564858 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.