CID 9574809

Nsc658491

Structural Information

Molecular Formula
C25H20N4O6
SMILES
CC(=O)NC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=NC(=O)C)N2C)/C=C\3/C(=O)C4=CC=CC=C4OC3=O
InChI
InChI=1S/C25H20N4O6/c1-14(30)26-17-10-8-16(9-11-17)12-20-23(33)29(25(28(20)3)27-15(2)31)13-19-22(32)18-6-4-5-7-21(18)35-24(19)34/h4-13H,1-3H3,(H,26,30)/b19-13-,20-12-,27-25?
InChIKey
NLHYKSVARBVTRF-AJYBHMJXSA-N
Compound name
N-[4-[(Z)-[2-acetylimino-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-4-ylidene]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.13828 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.14556 212.9
[M+Na]+ 495.12750 219.7
[M-H]- 471.13100 223.2
[M+NH4]+ 490.17210 219.3
[M+K]+ 511.10144 215.4
[M+H-H2O]+ 455.13554 202.7
[M+HCOO]- 517.13648 229.7
[M+CH3COO]- 531.15213 244.7
[M+Na-2H]- 493.11295 209.1
[M]+ 472.13773 213.6
[M]- 472.13883 213.6
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.