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 149.4
[M+Na]+ 255.06594 162.1
[M-H]- 231.06944 153.8
[M+NH4]+ 250.11054 169.8
[M+K]+ 271.03988 159.5
[M+H-H2O]+ 215.07398 143.1
[M+HCOO]- 277.07492 165.8
[M+CH3COO]- 291.09057 162.9
[M+Na-2H]- 253.05139 155.5
[M]+ 232.07617 152.2
[M]- 232.07727 152.2
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.