CID 213058

25451-45-0

Structural Information

Molecular Formula
C19H22N2O4
SMILES
CC1=CC=C(C=C1)C(COC(=O)N)(COC(=O)N)C2=CC=C(C=C2)C
InChI
InChI=1S/C19H22N2O4/c1-13-3-7-15(8-4-13)19(11-24-17(20)22,12-25-18(21)23)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3,(H2,20,22)(H2,21,23)
InChIKey
SRTSKTCQURGSPI-UHFFFAOYSA-N
Compound name
[3-carbamoyloxy-2,2-bis(4-methylphenyl)propyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.15796 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.16524 182.0
[M+Na]+ 365.14718 186.5
[M-H]- 341.15068 187.4
[M+NH4]+ 360.19178 193.8
[M+K]+ 381.12112 183.9
[M+H-H2O]+ 325.15522 173.5
[M+HCOO]- 387.15616 203.0
[M+CH3COO]- 401.17181 215.9
[M+Na-2H]- 363.13263 183.3
[M]+ 342.15741 182.5
[M]- 342.15851 182.5
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.