CID 26357859

1185329-96-7

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

11
Patents

436.21106 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.218336 205.3
[M+Na]+ 459.200278 207.9
[M-H]- 435.203784 213.2
[M+NH4]+ 454.244883 212.8
[M+K]+ 475.174218 205.1
[M+H-H2O]+ 419.208320 193.2
[M+HCOO]- 481.209261 227.4
[M+CH3COO]- 495.224911 235.3
[M+Na-2H]- 457.185726 205.2
[M]+ 436.21051142 210.3
[M]- 436.21160858 210.3
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