CID 9573909

Nsc380479

Structural Information

Molecular Formula
C38H32N8O2
SMILES
CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)/C=N/NC(=O)C4=CC(=CC=C4)C(=O)N/N=C/C5=CC=C(C=C5)C6=C[N+]7=CC=CC=C7N6C
InChI
InChI=1S/C38H30N8O2/c1-43-33(25-45-20-5-3-10-35(43)45)29-16-12-27(13-17-29)23-39-41-37(47)31-8-7-9-32(22-31)38(48)42-40-24-28-14-18-30(19-15-28)34-26-46-21-6-4-11-36(46)44(34)2/h3-26H,1-2H3/p+2/b39-23+,40-24+
InChIKey
RNZMHVULOUECMN-DBMXBCQFSA-P
Compound name
1-N,3-N-bis[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.26483 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.27211 254.2
[M+Na]+ 655.25405 257.7
[M-H]- 631.25755 269.8
[M+NH4]+ 650.29865 253.1
[M+K]+ 671.22799 239.0
[M+H-H2O]+ 615.26209 243.1
[M+HCOO]- 677.26303 274.8
[M+CH3COO]- 691.27868 262.3
[M+Na-2H]- 653.23950 260.8
[M]+ 632.26428 255.8
[M]- 632.26538 255.8
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.