CID 20584

3,4-dihydro-9-chloro-1,6-dimethyl-1h-azepino(5,4,3-cd)indole hydrochloride

Structural Information

Molecular Formula
C13H13ClN2
SMILES
CC1=NCCC2=CN(C3=C(C=CC1=C23)Cl)C
InChI
InChI=1S/C13H13ClN2/c1-8-10-3-4-11(14)13-12(10)9(5-6-15-8)7-16(13)2/h3-4,7H,5-6H2,1-2H3
InChIKey
LMCZKCRUAGTJNT-UHFFFAOYSA-N
Compound name
5-chloro-3,9-dimethyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),9-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07672 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08400 144.5
[M+Na]+ 255.06594 159.0
[M+NH4]+ 250.11054 154.0
[M+K]+ 271.03988 153.7
[M-H]- 231.06944 146.9
[M+Na-2H]- 253.05139 150.9
[M]+ 232.07617 147.8
[M]- 232.07727 147.8
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.