CID 209162

19351-44-1

Structural Information

Molecular Formula
C15H23N3O4
SMILES
CC1=CC(=CC=C1)N(CCCOC(=O)N)CCCOC(=O)N
InChI
InChI=1S/C15H23N3O4/c1-12-5-2-6-13(11-12)18(7-3-9-21-14(16)19)8-4-10-22-15(17)20/h2,5-6,11H,3-4,7-10H2,1H3,(H2,16,19)(H2,17,20)
InChIKey
CSCPQWKHIOFSHH-UHFFFAOYSA-N
Compound name
3-[N-(3-carbamoyloxypropyl)-3-methylanilino]propyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.16885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.17613 174.0
[M+Na]+ 332.15807 180.2
[M+NH4]+ 327.20267 178.3
[M+K]+ 348.13201 176.8
[M-H]- 308.16157 174.8
[M+Na-2H]- 330.14352 176.4
[M]+ 309.16830 174.4
[M]- 309.16940 174.4
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.