CID 386804

Nsc679512

Structural Information

Molecular Formula
C22H23N5O3
SMILES
CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)OC)C
InChI
InChI=1S/C22H23N5O3/c1-14-6-5-7-18(12-14)24-25-22-15(2)26-27(16(22)3)21(29)13-20(28)23-17-8-10-19(30-4)11-9-17/h5-12H,13H2,1-4H3,(H,23,28)
InChIKey
KEAJVNUOBFUUAU-UHFFFAOYSA-N
Compound name
3-[3,5-dimethyl-4-[(3-methylphenyl)diazenyl]pyrazol-1-yl]-N-(4-methoxyphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.18008 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.18736 198.7
[M+Na]+ 428.16930 205.5
[M-H]- 404.17280 209.5
[M+NH4]+ 423.21390 208.9
[M+K]+ 444.14324 202.0
[M+H-H2O]+ 388.17734 187.1
[M+HCOO]- 450.17828 224.9
[M+CH3COO]- 464.19393 236.5
[M+Na-2H]- 426.15475 199.3
[M]+ 405.17953 203.9
[M]- 405.18063 203.9
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

No patent data available for this compound.