CID 8662

Quinuronium sulfate

Structural Information

Molecular Formula
C21H20N4O
SMILES
C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)[N+](=CC=C4)C
InChI
InChI=1S/C21H19N4O/c1-24-11-3-5-15-13-17(7-9-19(15)24)22-21(26)23-18-8-10-20-16(14-18)6-4-12-25(20)2/h3-14H,1-2H3,(H-,22,23,26)/q+1/p+1
InChIKey
XNGCPUFXJFAGRG-UHFFFAOYSA-O
Compound name
1,3-bis(1-methylquinolin-1-ium-6-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

328
Patents

344.1637 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.17098 185.4
[M+Na]+ 367.15292 193.1
[M-H]- 343.15642 191.9
[M+NH4]+ 362.19752 196.4
[M+K]+ 383.12686 175.6
[M+H-H2O]+ 327.16096 179.6
[M+HCOO]- 389.16190 205.4
[M+CH3COO]- 403.17755 205.8
[M+Na-2H]- 365.13837 198.2
[M]+ 344.16315 184.3
[M]- 344.16425 184.3
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

patents stripe