CID 49768282

(z)-4-(4-butoxycarbonyl-3-hydroxy-anilino)-4-oxo-but-2-enoic acid

Structural Information

Molecular Formula
C15H17NO6
SMILES
CCCCOC(=O)C1=C(C=C(C=C1)NC(=O)/C=C\C(=O)O)O
InChI
InChI=1S/C15H17NO6/c1-2-3-8-22-15(21)11-5-4-10(9-12(11)17)16-13(18)6-7-14(19)20/h4-7,9,17H,2-3,8H2,1H3,(H,16,18)(H,19,20)/b7-6-
InChIKey
RQORYHPTBROSPR-SREVYHEPSA-N
Compound name
(Z)-4-(4-butoxycarbonyl-3-hydroxyanilino)-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1056 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11288 168.9
[M+Na]+ 330.09482 173.7
[M-H]- 306.09832 169.4
[M+NH4]+ 325.13942 181.7
[M+K]+ 346.06876 171.4
[M+H-H2O]+ 290.10286 161.9
[M+HCOO]- 352.10380 188.5
[M+CH3COO]- 366.11945 201.9
[M+Na-2H]- 328.08027 168.4
[M]+ 307.10505 170.8
[M]- 307.10615 170.8
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.