CID 9555813

Nsc631679

Structural Information

Molecular Formula
C23H26N4O5
SMILES
CC1=CC(=C(C=C1)C)NC(=O)CC/C(=N/NC(=O)C(=O)N)/C(C)C(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C23H26N4O5/c1-13-4-5-14(2)19(12-13)25-20(29)11-10-18(26-27-23(32)22(24)31)15(3)21(30)16-6-8-17(28)9-7-16/h4-9,12,15,28H,10-11H2,1-3H3,(H2,24,31)(H,25,29)(H,27,32)/b26-18-
InChIKey
WGZJQCZFPLUKNZ-ITYLOYPMSA-N
Compound name
N'-[(Z)-[6-(2,5-dimethylanilino)-1-(4-hydroxyphenyl)-2-methyl-1,6-dioxohexan-3-ylidene]amino]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.1903 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.19758 207.0
[M+Na]+ 461.17952 208.1
[M-H]- 437.18302 212.5
[M+NH4]+ 456.22412 214.0
[M+K]+ 477.15346 206.8
[M+H-H2O]+ 421.18756 197.2
[M+HCOO]- 483.18850 227.6
[M+CH3COO]- 497.20415 242.8
[M+Na-2H]- 459.16497 202.2
[M]+ 438.18975 206.1
[M]- 438.19085 206.1
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.