CID 6445036

Brn 3075008

Structural Information

Molecular Formula
C20H20N2O6
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)N/C(=C\C(=O)OC)/C(=O)OC
InChI
InChI=1S/C20H20N2O6/c1-26-14-9-10-15(22-19(24)13-7-5-4-6-8-13)16(11-14)21-17(20(25)28-3)12-18(23)27-2/h4-12,21H,1-3H3,(H,22,24)/b17-12-
InChIKey
JYGKSWXWPFBSDU-ATVHPVEESA-N
Compound name
dimethyl (Z)-2-(2-benzamido-5-methoxyanilino)but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.13214 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.13942 189.2
[M+Na]+ 407.12136 192.6
[M-H]- 383.12486 195.4
[M+NH4]+ 402.16596 199.3
[M+K]+ 423.09530 191.4
[M+H-H2O]+ 367.12940 179.7
[M+HCOO]- 429.13034 211.5
[M+CH3COO]- 443.14599 223.0
[M+Na-2H]- 405.10681 189.1
[M]+ 384.13159 192.6
[M]- 384.13269 192.6
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.