CID 394751

Nsc698454

Structural Information

Molecular Formula
C22H15N5O6
SMILES
C1=CC=C(C(=C1)C(=O)NN2C(=O)C=CC2=O)NC3=CC=CC=C3C(=O)NN4C(=O)C=CC4=O
InChI
InChI=1S/C22H15N5O6/c28-17-9-10-18(29)26(17)24-21(32)13-5-1-3-7-15(13)23-16-8-4-2-6-14(16)22(33)25-27-19(30)11-12-20(27)31/h1-12,23H,(H,24,32)(H,25,33)
InChIKey
UXSOGYFOCJVJNA-UHFFFAOYSA-N
Compound name
N-(2,5-dioxopyrrol-1-yl)-2-[2-[(2,5-dioxopyrrol-1-yl)carbamoyl]anilino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.10223 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.10951 197.6
[M+Na]+ 468.09145 202.8
[M-H]- 444.09495 209.5
[M+NH4]+ 463.13605 205.4
[M+K]+ 484.06539 199.2
[M+H-H2O]+ 428.09949 187.3
[M+HCOO]- 490.10043 221.0
[M+CH3COO]- 504.11608 236.2
[M+Na-2H]- 466.07690 195.9
[M]+ 445.10168 197.4
[M]- 445.10278 197.4
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.