CID 914268

(6s)-2-chloro-5,6,7,8,9,10-hexahydro-cyclohept[b]indole-6-carboxamide

Structural Information

Molecular Formula
C14H15ClN2O
SMILES
C1CCC2=C([C@H](C1)C(=O)N)NC3=C2C=C(C=C3)Cl
InChI
InChI=1S/C14H15ClN2O/c15-8-5-6-12-11(7-8)9-3-1-2-4-10(14(16)18)13(9)17-12/h5-7,10,17H,1-4H2,(H2,16,18)/t10-/m0/s1
InChIKey
ABIVOOWWGYJNLV-JTQLQIEISA-N
Compound name
(6S)-2-chloro-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

39
Patents

262.08728 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09456 156.8
[M+Na]+ 285.07650 165.7
[M-H]- 261.08000 160.7
[M+NH4]+ 280.12110 175.3
[M+K]+ 301.05044 163.0
[M+H-H2O]+ 245.08454 151.4
[M+HCOO]- 307.08548 171.2
[M+CH3COO]- 321.10113 168.2
[M+Na-2H]- 283.06195 160.1
[M]+ 262.08673 153.0
[M]- 262.08783 153.0
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

patents stripe