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
2
Annotation Hits

0
References

93
Patents

380.1736 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.18088 192.0
[M+Na]+ 403.16282 196.7
[M-H]- 379.16632 198.6
[M+NH4]+ 398.20742 203.0
[M+K]+ 419.13676 193.7
[M+H-H2O]+ 363.17086 183.2
[M+HCOO]- 425.17180 213.2
[M+CH3COO]- 439.18745 228.4
[M+Na-2H]- 401.14827 189.2
[M]+ 380.17305 194.3
[M]- 380.17415 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