CID 94578

Phenisopham

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CCN(C1=CC=CC=C1)C(=O)OC2=CC=CC(=C2)NC(=O)OC(C)C
InChI
InChI=1S/C19H22N2O4/c1-4-21(16-10-6-5-7-11-16)19(23)25-17-12-8-9-15(13-17)20-18(22)24-14(2)3/h5-14H,4H2,1-3H3,(H,20,22)
InChIKey
PWEOEHNGYFXZLI-UHFFFAOYSA-N
Compound name
[3-(propan-2-yloxycarbonylamino)phenyl] N-ethyl-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

8412
Patents

342.15796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.165236 182.4
[M+Na]+ 365.147178 185.7
[M-H]- 341.150684 189.8
[M+NH4]+ 360.191783 195.1
[M+K]+ 381.121118 185.0
[M+H-H2O]+ 325.155220 173.0
[M+HCOO]- 387.156161 205.9
[M+CH3COO]- 401.171811 218.1
[M+Na-2H]- 363.132626 183.6
[M]+ 342.15741142 185.5
[M]- 342.15850858 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe