CID 29551

19351-39-4

Structural Information

Molecular Formula
C13H19N3O5
SMILES
COC1=CC=C(C=C1)N(CCOC(=O)N)CCOC(=O)N
InChI
InChI=1S/C13H19N3O5/c1-19-11-4-2-10(3-5-11)16(6-8-20-12(14)17)7-9-21-13(15)18/h2-5H,6-9H2,1H3,(H2,14,17)(H2,15,18)
InChIKey
ODKQCZBATFVTEV-UHFFFAOYSA-N
Compound name
2-[N-(2-carbamoyloxyethyl)-4-methoxyanilino]ethyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.13248 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13976 167.0
[M+Na]+ 320.12170 170.7
[M-H]- 296.12520 170.5
[M+NH4]+ 315.16630 181.0
[M+K]+ 336.09564 171.4
[M+H-H2O]+ 280.12974 158.4
[M+HCOO]- 342.13068 192.0
[M+CH3COO]- 356.14633 211.2
[M+Na-2H]- 318.10715 168.2
[M]+ 297.13193 169.9
[M]- 297.13303 169.9
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.