CID 24856363

N~3~-cyclopropyl-n~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC=C(C=C3)C(=O)NCC4CC4
InChI
InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)
InChIKey
BOPSUAHGQHFKGG-UHFFFAOYSA-N
Compound name
N-cyclopropyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

348.18378 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.191056 175.2
[M+Na]+ 371.172998 180.2
[M-H]- 347.176504 186.5
[M+NH4]+ 366.217603 177.5
[M+K]+ 387.146938 176.1
[M+H-H2O]+ 331.181040 168.4
[M+HCOO]- 393.181981 196.2
[M+CH3COO]- 407.197631 225.5
[M+Na-2H]- 369.158446 175.8
[M]+ 348.18323142 178.3
[M]- 348.18432858 178.3
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