CID 38667

Nolinium bromide

Structural Information

Molecular Formula
C15H11Cl2N2
SMILES
C1=CC=[N+]2C=CC(=CC2=C1)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2/c16-14-5-4-11(10-15(14)17)18-12-6-8-19-7-2-1-3-13(19)9-12/h1-10H/p+1
InChIKey
MTFYFZDTISVQRR-UHFFFAOYSA-O
Compound name
N-(3,4-dichlorophenyl)quinolizin-5-ium-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

349
Patents

289.02994 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.03722 162.9
[M+Na]+ 312.01916 172.9
[M-H]- 288.02266 168.3
[M+NH4]+ 307.06376 178.8
[M+K]+ 327.99310 160.0
[M+H-H2O]+ 272.02720 158.2
[M+HCOO]- 334.02814 176.0
[M+CH3COO]- 348.04379 195.2
[M+Na-2H]- 310.00461 172.3
[M]+ 289.02939 164.4
[M]- 289.03049 164.4
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