CID 3077682

135264-63-0

Structural Information

Molecular Formula
C24H29N3
SMILES
CC1=CC=CC=C1NCN2C3=CC=CC=C3N=C4CCCC4C25CCCC5
InChI
InChI=1S/C24H29N3/c1-18-9-2-3-11-20(18)25-17-27-23-14-5-4-12-22(23)26-21-13-8-10-19(21)24(27)15-6-7-16-24/h2-5,9,11-12,14,19,25H,6-8,10,13,15-17H2,1H3
InChIKey
SLBJCCDWMVKION-UHFFFAOYSA-N
Compound name
2-methyl-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

359.23615 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.24343 191.7
[M+Na]+ 382.22537 197.1
[M-H]- 358.22887 200.3
[M+NH4]+ 377.26997 208.0
[M+K]+ 398.19931 191.6
[M+H-H2O]+ 342.23341 181.8
[M+HCOO]- 404.23435 207.5
[M+CH3COO]- 418.25000 200.2
[M+Na-2H]- 380.21082 191.5
[M]+ 359.23560 184.8
[M]- 359.23670 184.8
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.