CID 386893

Nsc679795

Structural Information

Molecular Formula
C13H10ClN2
SMILES
C1=CC=[N+]2C3=C(C(=CC=C3)Cl)C(=CC2=C1)N
InChI
InChI=1S/C13H9ClN2/c14-10-5-3-6-12-13(10)11(15)8-9-4-1-2-7-16(9)12/h1-8,15H/p+1
InChIKey
PKRJXCMCCFMTLJ-UHFFFAOYSA-O
Compound name
7-chlorobenzo[c]quinolizin-11-ium-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

229.05325 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06053 147.0
[M+Na]+ 252.04247 158.9
[M-H]- 228.04597 151.5
[M+NH4]+ 247.08707 166.3
[M+K]+ 268.01641 146.8
[M+H-H2O]+ 212.05051 143.2
[M+HCOO]- 274.05145 165.4
[M+CH3COO]- 288.06710 185.7
[M+Na-2H]- 250.02792 159.3
[M]+ 229.05270 148.4
[M]- 229.05380 148.4
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

patents stripe