CID 54702492

Einecs 271-328-1

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)/C=C(/C)\O)C)NC(=O)/C=C(\C)/O
InChI
InChI=1S/C22H24N2O4/c1-13-9-17(5-7-19(13)23-21(27)11-15(3)25)18-6-8-20(14(2)10-18)24-22(28)12-16(4)26/h5-12,25-26H,1-4H3,(H,23,27)(H,24,28)/b15-11-,16-12+
InChIKey
GFOUIFSPFQGIQL-UKVBVZPVSA-N
Compound name
(Z)-3-hydroxy-N-[4-[4-[[(E)-3-hydroxybut-2-enoyl]amino]-3-methylphenyl]-2-methylphenyl]but-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1736 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 193.2
[M+Na]+ 403.16282 197.2
[M-H]- 379.16632 197.2
[M+NH4]+ 398.20742 203.0
[M+K]+ 419.13676 192.7
[M+H-H2O]+ 363.17086 185.1
[M+HCOO]- 425.17180 211.4
[M+CH3COO]- 439.18745 222.8
[M+Na-2H]- 401.14827 189.4
[M]+ 380.17305 191.7
[M]- 380.17415 191.7
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.