CID 29550

Ethanol, 2,2'-(p-tolylimino)di-, dicarbamate (ester)

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC1=CC=C(C=C1)N(CCOC(=O)N)CCOC(=O)N
InChI
InChI=1S/C13H19N3O4/c1-10-2-4-11(5-3-10)16(6-8-19-12(14)17)7-9-20-13(15)18/h2-5H,6-9H2,1H3,(H2,14,17)(H2,15,18)
InChIKey
GQXKWCRRYZSWDU-UHFFFAOYSA-N
Compound name
2-[N-(2-carbamoyloxyethyl)-4-methylanilino]ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.13754 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.14482 165.3
[M+Na]+ 304.12676 171.9
[M+NH4]+ 299.17136 169.9
[M+K]+ 320.10070 168.9
[M-H]- 280.13026 166.1
[M+Na-2H]- 302.11221 168.2
[M]+ 281.13699 165.8
[M]- 281.13809 165.8
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.