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]+ 268.129196 160.2
[M+Na]+ 290.111138 163.6
[M-H]- 266.114644 163.5
[M+NH4]+ 285.155743 175.2
[M+K]+ 306.085078 163.8
[M+H-H2O]+ 250.119180 151.8
[M+HCOO]- 312.120121 185.3
[M+CH3COO]- 326.135771 204.7
[M+Na-2H]- 288.096586 162.5
[M]+ 267.12137142 160.9
[M]- 267.12246858 160.9
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.