CID 122993

Quinapyramine

Structural Information

Molecular Formula
C17H21N6
SMILES
CC1=CC(=NC2=CC3=C(C=C([N+](=C3C=C2)C)C)N)N=C(N1C)N
InChI
InChI=1S/C17H20N6/c1-10-7-14(18)13-9-12(5-6-15(13)22(10)3)20-16-8-11(2)23(4)17(19)21-16/h5-9,18H,1-4H3,(H2,19,20,21)/p+1
InChIKey
KMJWBVJQFGRCEB-UHFFFAOYSA-O
Compound name
6-[(2-amino-1,6-dimethylpyrimidin-4-ylidene)amino]-1,2-dimethylquinolin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

94
References

799
Patents

309.18277 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19005 178.9
[M+Na]+ 332.17199 190.0
[M-H]- 308.17549 184.8
[M+NH4]+ 327.21659 190.9
[M+K]+ 348.14593 177.9
[M+H-H2O]+ 292.18003 171.2
[M+HCOO]- 354.18097 200.8
[M+CH3COO]- 368.19662 213.0
[M+Na-2H]- 330.15744 185.8
[M]+ 309.18222 177.9
[M]- 309.18332 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe