CID 369125

Nsc640673

Structural Information

Molecular Formula
C32H27N5O3
SMILES
CC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)OC)C5=CC=CC=C5
InChI
InChI=1S/C32H27N5O3/c1-22-11-9-10-16-27(22)34-35-31-30(23-12-5-3-6-13-23)36-37(32(31)24-14-7-4-8-15-24)29(39)21-28(38)33-25-17-19-26(40-2)20-18-25/h3-20H,21H2,1-2H3,(H,33,38)
InChIKey
QAPMHUQSAAKZOW-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

529.21136 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.21864 229.7
[M+Na]+ 552.20058 233.7
[M-H]- 528.20408 245.1
[M+NH4]+ 547.24518 232.9
[M+K]+ 568.17452 227.7
[M+H-H2O]+ 512.20862 214.7
[M+HCOO]- 574.20956 253.9
[M+CH3COO]- 588.22521 236.7
[M+Na-2H]- 550.18603 229.9
[M]+ 529.21081 232.2
[M]- 529.21191 232.2
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.