CID 66686

91-96-3

Structural Information

Molecular Formula
C22H24N2O4
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)CC(=O)C)C)NC(=O)CC(=O)C
InChI
InChI=1S/C22H24N2O4/c1-13-9-17(5-7-19(13)23-21(27)11-15(3)25)18-6-8-20(14(2)10-18)24-22(28)12-16(4)26/h5-10H,11-12H2,1-4H3,(H,23,27)(H,24,28)
InChIKey
CRRLDLPBQWRVGN-UHFFFAOYSA-N
Compound name
N-[2-methyl-4-[3-methyl-4-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

168
Patents

380.1736 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.180876 192.0
[M+Na]+ 403.162818 196.7
[M-H]- 379.166324 198.6
[M+NH4]+ 398.207423 203.0
[M+K]+ 419.136758 193.7
[M+H-H2O]+ 363.170860 183.2
[M+HCOO]- 425.171801 213.2
[M+CH3COO]- 439.187451 228.4
[M+Na-2H]- 401.148266 189.2
[M]+ 380.17305142 194.3
[M]- 380.17414858 194.3
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

patents stripe