CID 3077042

Brn 4332549

Structural Information

Molecular Formula
C24H29N3
SMILES
C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCNC5=CC=CC=C5
InChI
InChI=1S/C24H29N3/c1-2-9-19(10-3-1)25-17-18-27-23-14-5-4-12-22(23)26-21-13-8-11-20(21)24(27)15-6-7-16-24/h1-5,9-10,12,14,20,25H,6-8,11,13,15-18H2
InChIKey
CTMSVVLEIXQAOY-UHFFFAOYSA-N
Compound name
N-(2-spiro[1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]-5-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.23615 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.24343 191.3
[M+Na]+ 382.22537 201.2
[M+NH4]+ 377.26997 201.2
[M+K]+ 398.19931 194.6
[M-H]- 358.22887 196.7
[M+Na-2H]- 380.21082 197.8
[M]+ 359.23560 194.4
[M]- 359.23670 194.4
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.