CID 3064374

I.s. 3243

Structural Information

Molecular Formula
C15H23N3O5
SMILES
COC1=CC=CC=C1N(CCCOC(=O)N)CCCOC(=O)N
InChI
InChI=1S/C15H23N3O5/c1-21-13-7-3-2-6-12(13)18(8-4-10-22-14(16)19)9-5-11-23-15(17)20/h2-3,6-7H,4-5,8-11H2,1H3,(H2,16,19)(H2,17,20)
InChIKey
XCLAUNPNUOHZJE-UHFFFAOYSA-N
Compound name
3-[N-(3-carbamoyloxypropyl)-2-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]+ 326.171036 176.0
[M+Na]+ 348.152978 178.9
[M-H]- 324.156484 179.1
[M+NH4]+ 343.197583 188.8
[M+K]+ 364.126918 179.2
[M+H-H2O]+ 308.161020 167.1
[M+HCOO]- 370.161961 200.3
[M+CH3COO]- 384.177611 217.1
[M+Na-2H]- 346.138426 176.2
[M]+ 325.16321142 179.6
[M]- 325.16430858 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.