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]+ 282.144816 165.0
[M+Na]+ 304.126758 168.9
[M-H]- 280.130264 168.5
[M+NH4]+ 299.171363 179.7
[M+K]+ 320.100698 169.0
[M+H-H2O]+ 264.134800 156.7
[M+HCOO]- 326.135741 189.8
[M+CH3COO]- 340.151391 209.0
[M+Na-2H]- 302.112206 166.0
[M]+ 281.13699142 166.5
[M]- 281.13808858 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.