CID 56966

95766-85-1

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)NCC(=O)NC
InChI
InChI=1S/C12H16N2O3/c1-3-17-12(16)9-4-6-10(7-5-9)14-8-11(15)13-2/h4-7,14H,3,8H2,1-2H3,(H,13,15)
InChIKey
LHTLHMKLDVSLQT-UHFFFAOYSA-N
Compound name
ethyl 4-[[2-(methylamino)-2-oxoethyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12337 153.5
[M+Na]+ 259.10531 158.8
[M-H]- 235.10881 156.9
[M+NH4]+ 254.14991 170.5
[M+K]+ 275.07925 157.5
[M+H-H2O]+ 219.11335 146.3
[M+HCOO]- 281.11429 178.2
[M+CH3COO]- 295.12994 196.2
[M+Na-2H]- 257.09076 157.4
[M]+ 236.11554 154.8
[M]- 236.11664 154.8
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.