CID 3075172

172753-07-0

Structural Information

Molecular Formula
C18H19N3O4
SMILES
CCOC(=O)/C(=C/NC1=CC=CC=N1)/C(=O)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H19N3O4/c1-3-25-18(23)15(12-20-16-6-4-5-11-19-16)17(22)21-13-7-9-14(24-2)10-8-13/h4-12H,3H2,1-2H3,(H,19,20)(H,21,22)/b15-12+
InChIKey
KNCQPEPGDQNKLM-NTCAYCPXSA-N
Compound name
ethyl (E)-2-[(4-methoxyphenyl)carbamoyl]-3-(pyridin-2-ylamino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.13754 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14482 179.8
[M+Na]+ 364.12676 183.5
[M-H]- 340.13026 184.6
[M+NH4]+ 359.17136 190.4
[M+K]+ 380.10070 180.8
[M+H-H2O]+ 324.13480 169.9
[M+HCOO]- 386.13574 202.0
[M+CH3COO]- 400.15139 214.4
[M+Na-2H]- 362.11221 182.7
[M]+ 341.13699 181.2
[M]- 341.13809 181.2
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.