CID 155973532

1629403-03-7

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CC(CNC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H22N2O4/c1-15(21-19(23)25-14-17-10-6-3-7-11-17)12-20-18(22)24-13-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3,(H,20,22)(H,21,23)
InChIKey
PZLXYNLCMCCEMK-UHFFFAOYSA-N
Compound name
benzyl N-[1-(phenylmethoxycarbonylamino)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 182.0
[M+Na]+ 365.14718 184.1
[M-H]- 341.15068 187.5
[M+NH4]+ 360.19178 193.7
[M+K]+ 381.12112 182.0
[M+H-H2O]+ 325.15522 172.5
[M+HCOO]- 387.15616 205.0
[M+CH3COO]- 401.17181 213.6
[M+Na-2H]- 363.13263 184.7
[M]+ 342.15741 183.4
[M]- 342.15851 183.4
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.