CID 29548

19351-36-1

Structural Information

Molecular Formula
C12H17N3O4
SMILES
C1=CC=C(C=C1)N(CCOC(=O)N)CCOC(=O)N
InChI
InChI=1S/C12H17N3O4/c13-11(16)18-8-6-15(7-9-19-12(14)17)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,16)(H2,14,17)
InChIKey
ZMKIXJQHDMCXRC-UHFFFAOYSA-N
Compound name
2-[N-(2-carbamoyloxyethyl)anilino]ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.12192 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12920 161.0
[M+Na]+ 290.11114 167.4
[M+NH4]+ 285.15574 165.8
[M+K]+ 306.08508 164.5
[M-H]- 266.11464 161.8
[M+Na-2H]- 288.09659 164.4
[M]+ 267.12137 161.4
[M]- 267.12247 161.4
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.