CID 961704

1-(cyclohexylamino)-3-(6-methyl-3,4-dihydro-1h-carbazol-9(2h)-yl)propan-2-ol

Structural Information

Molecular Formula
C22H32N2O
SMILES
CC1=CC2=C(C=C1)N(C3=C2CCCC3)C[C@H](CNC4CCCCC4)O
InChI
InChI=1S/C22H32N2O/c1-16-11-12-22-20(13-16)19-9-5-6-10-21(19)24(22)15-18(25)14-23-17-7-3-2-4-8-17/h11-13,17-18,23,25H,2-10,14-15H2,1H3/t18-/m0/s1
InChIKey
AXYFCRIRLKSCRR-SFHVURJKSA-N
Compound name
(2S)-1-(cyclohexylamino)-3-(6-methyl-1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.25146 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.25874 183.2
[M+Na]+ 363.24068 185.8
[M-H]- 339.24418 187.1
[M+NH4]+ 358.28528 197.7
[M+K]+ 379.21462 179.5
[M+H-H2O]+ 323.24872 174.3
[M+HCOO]- 385.24966 196.6
[M+CH3COO]- 399.26531 191.0
[M+Na-2H]- 361.22613 183.0
[M]+ 340.25091 177.4
[M]- 340.25201 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.