CID 494025

Nsc 69351

Structural Information

Molecular Formula
C16H14ClN2O
SMILES
C[N+]1=C2C=C(C=CC2=C(C=C1)NC3=CC=C(C=C3)O)Cl
InChI
InChI=1S/C16H13ClN2O/c1-19-9-8-15(14-7-2-11(17)10-16(14)19)18-12-3-5-13(20)6-4-12/h2-10,20H,1H3/p+1
InChIKey
IPYDEOKUKGINPO-UHFFFAOYSA-O
Compound name
4-[(7-chloro-1-methylquinolin-1-ium-4-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.07947 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08675 164.8
[M+Na]+ 308.06869 174.6
[M-H]- 284.07219 170.3
[M+NH4]+ 303.11329 180.2
[M+K]+ 324.04263 162.1
[M+H-H2O]+ 268.07673 159.9
[M+HCOO]- 330.07767 181.6
[M+CH3COO]- 344.09332 194.4
[M+Na-2H]- 306.05414 173.7
[M]+ 285.07892 165.4
[M]- 285.08002 165.4
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