CID 26357859

Ixa4

Structural Information

Molecular Formula
C24H28N4O4
SMILES
CC1=CC=C(C=C1)OCCN(C)C(=O)CN2C=C(C=N2)NC(=O)CCOC3=CC=CC=C3
InChI
InChI=1S/C24H28N4O4/c1-19-8-10-22(11-9-19)32-15-13-27(2)24(30)18-28-17-20(16-25-28)26-23(29)12-14-31-21-6-4-3-5-7-21/h3-11,16-17H,12-15,18H2,1-2H3,(H,26,29)
InChIKey
ZVSKMVAWWBSNOY-UHFFFAOYSA-N
Compound name
N-[1-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]pyrazol-4-yl]-3-phenoxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

436.21106 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.21834 206.2
[M+Na]+ 459.20028 216.2
[M+NH4]+ 454.24488 210.3
[M+K]+ 475.17422 212.1
[M-H]- 435.20378 210.2
[M+Na-2H]- 457.18573 213.3
[M]+ 436.21051 208.3
[M]- 436.21161 208.3
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