CID 90456

24304-50-5

Structural Information

Molecular Formula
C16H20N2O4
SMILES
CC1=CC(=C(C=C1NC(=O)CC(=O)C)C)NC(=O)CC(=O)C
InChI
InChI=1S/C16H20N2O4/c1-9-5-14(18-16(22)8-12(4)20)10(2)6-13(9)17-15(21)7-11(3)19/h5-6H,7-8H2,1-4H3,(H,17,21)(H,18,22)
InChIKey
NPISXGVUUHHCHZ-UHFFFAOYSA-N
Compound name
N-[2,5-dimethyl-4-(3-oxobutanoylamino)phenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

304.1423 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 172.1
[M+Na]+ 327.13152 180.0
[M+NH4]+ 322.17612 176.1
[M+K]+ 343.10546 176.8
[M-H]- 303.13502 171.9
[M+Na-2H]- 325.11697 174.0
[M]+ 304.14175 172.6
[M]- 304.14285 172.6
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