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 177.1
[M-H]- 308.16157 177.2
[M+NH4]+ 327.20267 187.6
[M+K]+ 348.13201 176.7
[M+H-H2O]+ 292.16611 165.3
[M+HCOO]- 354.16705 198.1
[M+CH3COO]- 368.18270 214.9
[M+Na-2H]- 330.14352 174.0
[M]+ 309.16830 176.2
[M]- 309.16940 176.2
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.