CID 3077684

135264-68-5

Structural Information

Molecular Formula
C24H29N3O
SMILES
COC1=CC=CC=C1NCN2C3=CC=CC=C3N=C4CCCC4C25CCCC5
InChI
InChI=1S/C24H29N3O/c1-28-23-14-5-3-11-21(23)25-17-27-22-13-4-2-10-20(22)26-19-12-8-9-18(19)24(27)15-6-7-16-24/h2-5,10-11,13-14,18,25H,6-9,12,15-17H2,1H3
InChIKey
DDJKTRKQOBAHMF-UHFFFAOYSA-N
Compound name
2-methoxy-N-(spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.23105 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23833 194.1
[M+Na]+ 398.22027 203.9
[M+NH4]+ 393.26487 203.5
[M+K]+ 414.19421 198.0
[M-H]- 374.22377 199.2
[M+Na-2H]- 396.20572 200.1
[M]+ 375.23050 197.1
[M]- 375.23160 197.1
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.