CID 73557194

120575-55-5

Structural Information

Molecular Formula
C24H30ClN11
SMILES
CN1C=C[N+](=C1N=NC2=CC(=C(C=C2)NCCN(C)C3=CC=C(C=C3)N=NC4=[N+](C=NN4C)C)Cl)C
InChI
InChI=1S/C24H29ClN11/c1-32(20-9-6-18(7-10-20)28-31-24-35(4)17-27-36(24)5)13-12-26-22-11-8-19(16-21(22)25)29-30-23-33(2)14-15-34(23)3/h6-11,14-17H,12-13H2,1-5H3/q+1/p+1
InChIKey
ZAMMYFCJNBUBID-UHFFFAOYSA-O
Compound name
N-[2-chloro-4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]-N'-[4-[(2,4-dimethyl-1,2,4-triazol-4-ium-3-yl)diazenyl]phenyl]-N'-methylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

507.23743 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.24471 224.4
[M+Na]+ 530.22665 231.4
[M-H]- 506.23015 238.8
[M+NH4]+ 525.27125 229.4
[M+K]+ 546.20059 215.4
[M+H-H2O]+ 490.23469 213.9
[M+HCOO]- 552.23563 249.9
[M+CH3COO]- 566.25128 252.5
[M+Na-2H]- 528.21210 232.7
[M]+ 507.23688 231.7
[M]- 507.23798 231.7
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.