CID 77741

D3atw3wc6w

Structural Information

Molecular Formula
C22H24N2O6
SMILES
CC(=O)CC(=O)NC1=C(C=C(C=C1)C2=CC(=C(C=C2)NC(=O)CC(=O)C)OC)OC
InChI
InChI=1S/C22H24N2O6/c1-13(25)9-21(27)23-17-7-5-15(11-19(17)29-3)16-6-8-18(20(12-16)30-4)24-22(28)10-14(2)26/h5-8,11-12H,9-10H2,1-4H3,(H,23,27)(H,24,28)
InChIKey
QCGJBSHPJVTZSR-UHFFFAOYSA-N
Compound name
N-[2-methoxy-4-[3-methoxy-4-(3-oxobutanoylamino)phenyl]phenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

412.16342 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.17070 197.4
[M+Na]+ 435.15264 206.3
[M+NH4]+ 430.19724 200.4
[M+K]+ 451.12658 202.7
[M-H]- 411.15614 199.0
[M+Na-2H]- 433.13809 201.0
[M]+ 412.16287 198.6
[M]- 412.16397 198.6
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