CID 9573859

Nsc364296

Structural Information

Molecular Formula
C31H28N8O
SMILES
CN1C(=C[N+]2=CC=CC=C12)C3=CC=C(C=C3)/C=N/NC(=O)N/N=C/C4=CC=C(C=C4)C5=C[N+]6=CC=CC=C6N5C
InChI
InChI=1S/C31H27N8O/c1-36-27(21-38-17-5-3-7-29(36)38)25-13-9-23(10-14-25)19-32-34-31(40)35-33-20-24-11-15-26(16-12-24)28-22-39-18-6-4-8-30(39)37(28)2/h3-22H,1-2H3,(H-,34,35,40)/q+1/p+1/b32-19+,33-20+
InChIKey
VDUCUHHKCHKTPL-CRDPYYQKSA-O
Compound name
1,3-bis[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.2386 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.24588 229.5
[M+Na]+ 551.22782 235.7
[M-H]- 527.23132 243.0
[M+NH4]+ 546.27242 233.7
[M+K]+ 567.20176 216.7
[M+H-H2O]+ 511.23586 220.0
[M+HCOO]- 573.23680 253.0
[M+CH3COO]- 587.25245 244.5
[M+Na-2H]- 549.21327 238.8
[M]+ 528.23805 231.7
[M]- 528.23915 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.