CID 4106166

N,n'-(4-methyl-1,3-phenylene)bis(propyl carbamate)

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCCC
InChI
InChI=1S/C15H22N2O4/c1-4-8-20-14(18)16-12-7-6-11(3)13(10-12)17-15(19)21-9-5-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)(H,17,19)
InChIKey
AZOPMOSYNSRIOO-UHFFFAOYSA-N
Compound name
propyl N-[2-methyl-5-(propoxycarbonylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

294.15796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 170.1
[M+Na]+ 317.14718 175.0
[M-H]- 293.15068 173.4
[M+NH4]+ 312.19178 185.1
[M+K]+ 333.12112 173.8
[M+H-H2O]+ 277.15522 162.4
[M+HCOO]- 339.15616 194.0
[M+CH3COO]- 353.17181 207.4
[M+Na-2H]- 315.13263 171.9
[M]+ 294.15741 174.1
[M]- 294.15851 174.1
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

patents stripe