CID 5387523

Nsc624426

Structural Information

Molecular Formula
C30H20N4O4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)/C(=C/C=C/C5=CC=CO5)/NC(=O)C6=CC=C(C=C6)N
InChI
InChI=1S/C30H20N4O4/c31-18-12-10-17(11-13-18)30(37)33-24(9-3-5-19-6-4-16-38-19)29-32-23-15-14-22-25(26(23)34-29)28(36)21-8-2-1-7-20(21)27(22)35/h1-16H,31H2,(H,32,34)(H,33,37)/b5-3+,24-9-
InChIKey
NXYPOZHHRVRHCP-SRZODOGPSA-N
Compound name
4-amino-N-[(1Z,3E)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-4-(furan-2-yl)buta-1,3-dienyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.14847 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.15575 218.0
[M+Na]+ 523.13769 225.0
[M-H]- 499.14119 227.9
[M+NH4]+ 518.18229 224.9
[M+K]+ 539.11163 217.7
[M+H-H2O]+ 483.14573 208.3
[M+HCOO]- 545.14667 234.2
[M+CH3COO]- 559.16232 225.1
[M+Na-2H]- 521.12314 217.2
[M]+ 500.14792 218.5
[M]- 500.14902 218.5
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.