CID 54702492

Mpizfuspzdnusk-uhfffaoysa-n

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
2
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]+ 381.180876 193.2
[M+Na]+ 403.162818 197.2
[M-H]- 379.166324 197.2
[M+NH4]+ 398.207423 203.0
[M+K]+ 419.136758 192.7
[M+H-H2O]+ 363.170860 185.1
[M+HCOO]- 425.171801 211.4
[M+CH3COO]- 439.187451 222.8
[M+Na-2H]- 401.148266 189.4
[M]+ 380.17305142 191.7
[M]- 380.17414858 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.