CID 9573895

4-[(e)-[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methyleneamino]-3-[(2e)-2-[[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methylene]hydrazino]-1h-1,2,4-triazole-5-thione

Structural Information

Molecular Formula
C32H28N10S
SMILES
C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)/C=N/NC4=NNC(=S)N4/N=C/C5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C
InChI
InChI=1S/C32H27N10S/c1-38-27(21-40-17-5-3-7-29(38)40)25-13-9-23(10-14-25)19-33-35-31-36-37-32(43)42(31)34-20-24-11-15-26(16-12-24)28-22-41-18-6-4-8-30(41)39(28)2/h3-22H,1-2H3,(H-,35,36,37,43)/q+1/p+1/b33-19+,34-20+
InChIKey
MYXAMECHSLWVMV-ZXHXELASSA-O
Compound name
4-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methylideneamino]-3-[(2E)-2-[[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methylidene]hydrazinyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.2219 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.22918 236.1
[M+Na]+ 607.21112 246.3
[M-H]- 583.21462 250.0
[M+NH4]+ 602.25572 237.5
[M+K]+ 623.18506 225.1
[M+H-H2O]+ 567.21916 228.8
[M+HCOO]- 629.22010 252.0
[M+CH3COO]- 643.23575 242.1
[M+Na-2H]- 605.19657 240.9
[M]+ 584.22135 239.9
[M]- 584.22245 239.9
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

No patent data available for this compound.