CID 3077048

Brn 4334658

Structural Information

Molecular Formula
C24H28ClN3
SMILES
C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCNC5=CC(=CC=C5)Cl
InChI
InChI=1S/C24H28ClN3/c25-18-7-5-8-19(17-18)26-15-16-28-23-12-2-1-10-22(23)27-21-11-6-9-20(21)24(28)13-3-4-14-24/h1-2,5,7-8,10,12,17,20,26H,3-4,6,9,11,13-16H2
InChIKey
REBXFLFYJFWUAT-UHFFFAOYSA-N
Compound name
3-chloro-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

393.19717 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.20445 196.1
[M+Na]+ 416.18639 207.2
[M+NH4]+ 411.23099 206.2
[M+K]+ 432.16033 199.9
[M-H]- 392.18989 201.6
[M+Na-2H]- 414.17184 202.6
[M]+ 393.19662 199.7
[M]- 393.19772 199.7
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.