CID 2798222

Oprea1_323579

Structural Information

Molecular Formula
C22H26ClNO3
SMILES
CC(C)(C)C1=CC(=C(C=C1)OC(=O)NC(=O)C2=CC=CC=C2Cl)C(C)(C)C
InChI
InChI=1S/C22H26ClNO3/c1-21(2,3)14-11-12-18(16(13-14)22(4,5)6)27-20(26)24-19(25)15-9-7-8-10-17(15)23/h7-13H,1-6H3,(H,24,25,26)
InChIKey
QISKCUJLEWNKHN-UHFFFAOYSA-N
Compound name
(2,4-ditert-butylphenyl) N-(2-chlorobenzoyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

387.16013 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.16741 192.6
[M+Na]+ 410.14935 199.4
[M-H]- 386.15285 199.6
[M+NH4]+ 405.19395 205.4
[M+K]+ 426.12329 195.0
[M+H-H2O]+ 370.15739 186.0
[M+HCOO]- 432.15833 206.8
[M+CH3COO]- 446.17398 221.7
[M+Na-2H]- 408.13480 194.1
[M]+ 387.15958 197.7
[M]- 387.16068 197.7
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

No patent data available for this compound.