CID 9574782

Nsc657780

Structural Information

Molecular Formula
C28H24N8O2S2
SMILES
CN1C2=[N+](C=C1C3=CC=C(C=C3)/C=N/NC(=O)C(=O)N/N=C/C4=CC=C(C=C4)C5=C[N+]6=C(N5C)SC=C6)C=CS2
InChI
InChI=1S/C28H22N8O2S2/c1-33-23(17-35-11-13-39-27(33)35)21-7-3-19(4-8-21)15-29-31-25(37)26(38)32-30-16-20-5-9-22(10-6-20)24-18-36-12-14-40-28(36)34(24)2/h3-18H,1-2H3/p+2/b29-15+,30-16+
InChIKey
LDBFXPXYRCLQBR-CMNXJCJSSA-P
Compound name
N,N'-bis[(E)-[4-(7-methylimidazo[2,1-b][1,3]thiazol-4-ium-6-yl)phenyl]methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.14636 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.15364 229.7
[M+Na]+ 591.13558 239.2
[M-H]- 567.13908 246.2
[M+NH4]+ 586.18018 238.6
[M+K]+ 607.10952 223.8
[M+H-H2O]+ 551.14362 227.7
[M+HCOO]- 613.14456 248.7
[M+CH3COO]- 627.16021 243.0
[M+Na-2H]- 589.12103 234.6
[M]+ 568.14581 238.1
[M]- 568.14691 238.1
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.