CID 209163

19351-46-3

Structural Information

Molecular Formula
C15H23N3O5
SMILES
COC1=CC=C(C=C1)N(CCCOC(=O)N)CCCOC(=O)N
InChI
InChI=1S/C15H23N3O5/c1-21-13-6-4-12(5-7-13)18(8-2-10-22-14(16)19)9-3-11-23-15(17)20/h4-7H,2-3,8-11H2,1H3,(H2,16,19)(H2,17,20)
InChIKey
VTLIEJJDWYPNTM-UHFFFAOYSA-N
Compound name
3-[N-(3-carbamoyloxypropyl)-4-methoxyanilino]propyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.16376 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17104 176.0
[M+Na]+ 348.15298 178.9
[M-H]- 324.15648 179.1
[M+NH4]+ 343.19758 188.8
[M+K]+ 364.12692 179.2
[M+H-H2O]+ 308.16102 167.1
[M+HCOO]- 370.16196 200.3
[M+CH3COO]- 384.17761 217.1
[M+Na-2H]- 346.13843 176.2
[M]+ 325.16321 179.6
[M]- 325.16431 179.6
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.