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

1
Patents

380.21 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 193.5
[M+Na]+ 403.19922 204.7
[M+NH4]+ 398.24382 201.4
[M+K]+ 419.17316 198.4
[M-H]- 379.20272 205.2
[M+Na-2H]- 401.18467 204.1
[M]+ 380.20945 199.5
[M]- 380.21055 199.5
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