CID 3077049

Brn 4336374

Structural Information

Molecular Formula
C24H27Cl2N3
SMILES
C1CCC2(C1)C3CCCC3=NC4=CC=CC=C4N2CCNC5=CC(=C(C=C5)Cl)Cl
InChI
InChI=1S/C24H27Cl2N3/c25-19-11-10-17(16-20(19)26)27-14-15-29-23-9-2-1-7-22(23)28-21-8-5-6-18(21)24(29)12-3-4-13-24/h1-2,7,9-11,16,18,27H,3-6,8,12-15H2
InChIKey
FQZHMRJHVMBJLA-UHFFFAOYSA-N
Compound name
3,4-dichloro-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

427.1582 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16548 199.5
[M+Na]+ 450.14742 211.4
[M+NH4]+ 445.19202 209.6
[M+K]+ 466.12136 203.7
[M-H]- 426.15092 204.9
[M+Na-2H]- 448.13287 205.7
[M]+ 427.15765 203.5
[M]- 427.15875 203.5
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.