CID 29549

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

Structural Information

Molecular Formula
C13H19N3O4
SMILES
CC1=CC(=CC=C1)N(CCOC(=O)N)CCOC(=O)N
InChI
InChI=1S/C13H19N3O4/c1-10-3-2-4-11(9-10)16(5-7-19-12(14)17)6-8-20-13(15)18/h2-4,9H,5-8H2,1H3,(H2,14,17)(H2,15,18)
InChIKey
GEQCGRPGRQBPTM-UHFFFAOYSA-N
Compound name
2-[N-(2-carbamoyloxyethyl)-3-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 165.0
[M+Na]+ 304.12676 168.9
[M-H]- 280.13026 168.5
[M+NH4]+ 299.17136 179.7
[M+K]+ 320.10070 169.0
[M+H-H2O]+ 264.13480 156.7
[M+HCOO]- 326.13574 189.8
[M+CH3COO]- 340.15139 209.0
[M+Na-2H]- 302.11221 166.0
[M]+ 281.13699 166.5
[M]- 281.13809 166.5
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.