CID 3080055

Brn 4266020

Structural Information

Molecular Formula
C22H15ClN2
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)N=C(C=C5)Cl
InChI
InChI=1S/C22H15ClN2/c23-21-13-11-18-19(24-21)12-10-17-16-8-4-5-9-20(16)25(22(17)18)14-15-6-2-1-3-7-15/h1-13H,14H2
InChIKey
GEKPZJRCHQBDKF-UHFFFAOYSA-N
Compound name
11-benzyl-3-chloropyrido[3,2-a]carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.09238 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09966 181.3
[M+Na]+ 365.08160 194.7
[M-H]- 341.08510 188.7
[M+NH4]+ 360.12620 197.7
[M+K]+ 381.05554 184.7
[M+H-H2O]+ 325.08964 171.1
[M+HCOO]- 387.09058 197.9
[M+CH3COO]- 401.10623 193.0
[M+Na-2H]- 363.06705 188.5
[M]+ 342.09183 187.3
[M]- 342.09293 187.3
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.