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 160.2
[M+Na]+ 290.11114 163.6
[M-H]- 266.11464 163.5
[M+NH4]+ 285.15574 175.2
[M+K]+ 306.08508 163.8
[M+H-H2O]+ 250.11918 151.8
[M+HCOO]- 312.12012 185.3
[M+CH3COO]- 326.13577 204.7
[M+Na-2H]- 288.09659 162.5
[M]+ 267.12137 160.9
[M]- 267.12247 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.