CID 56947089

S20

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC(C)NC(=O)C1(CC1C(C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C
InChI
InChI=1S/C23H28N2O3/c1-16(2)24-21(26)23(3)14-19(23)20(18-12-8-5-9-13-18)25-22(27)28-15-17-10-6-4-7-11-17/h4-13,16,19-20H,14-15H2,1-3H3,(H,24,26)(H,25,27)
InChIKey
ONJDWAYKGBYQHM-UHFFFAOYSA-N
Compound name
benzyl N-[[2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

380.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.217276 186.9
[M+Na]+ 403.199218 190.8
[M-H]- 379.202724 196.1
[M+NH4]+ 398.243823 194.8
[M+K]+ 419.173158 188.0
[M+H-H2O]+ 363.207260 179.2
[M+HCOO]- 425.208201 207.9
[M+CH3COO]- 439.223851 225.5
[M+Na-2H]- 401.184666 188.0
[M]+ 380.20945142 190.1
[M]- 380.21054858 190.1
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

No patent data available for this compound.