CID 6912776

Nsc657775

Structural Information

Molecular Formula
C32H28N8O2
SMILES
C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)/C=N/NC(=O)C(=O)N/N=C\C4=CC=C(C=C4)C5=CN6C=CC=CC6=[N+]5C
InChI
InChI=1S/C32H26N8O2/c1-37-27(21-39-17-5-3-7-29(37)39)25-13-9-23(10-14-25)19-33-35-31(41)32(42)36-34-20-24-11-15-26(16-12-24)28-22-40-18-6-4-8-30(40)38(28)2/h3-22H,1-2H3/p+2/b33-19-,34-20+
InChIKey
AZVUUFJCPOFBJI-SMVCDFMASA-P
Compound name
N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methylideneamino]-N'-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methylideneamino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

556.2335 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 557.24078 235.9
[M+Na]+ 579.22272 240.9
[M-H]- 555.22622 249.4
[M+NH4]+ 574.26732 238.7
[M+K]+ 595.19666 222.9
[M+H-H2O]+ 539.23076 226.4
[M+HCOO]- 601.23170 258.3
[M+CH3COO]- 615.24735 248.4
[M+Na-2H]- 577.20817 244.2
[M]+ 556.23295 238.1
[M]- 556.23405 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.