CID 3040491

Brn 0437601

Structural Information

Molecular Formula
C21H23ClN2
SMILES
C1CCC(CC1)NCC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H23ClN2/c22-16-12-10-15(11-13-16)21-19(14-23-17-6-2-1-3-7-17)18-8-4-5-9-20(18)24-21/h4-5,8-13,17,23-24H,1-3,6-7,14H2
InChIKey
PUKYFVBBJGIEEC-UHFFFAOYSA-N
Compound name
N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]cyclohexanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.15497 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.16225 180.5
[M+Na]+ 361.14419 187.0
[M-H]- 337.14769 187.5
[M+NH4]+ 356.18879 195.0
[M+K]+ 377.11813 177.9
[M+H-H2O]+ 321.15223 171.4
[M+HCOO]- 383.15317 195.1
[M+CH3COO]- 397.16882 190.0
[M+Na-2H]- 359.12964 182.6
[M]+ 338.15442 177.6
[M]- 338.15552 177.6
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.