CID 372601

Nsc647962

Structural Information

Molecular Formula
C33H29N5O3
SMILES
CCOC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC(=C4)C)C5=CC=CC=C5
InChI
InChI=1S/C33H29N5O3/c1-3-41-28-19-17-26(18-20-28)35-36-32-31(24-12-6-4-7-13-24)37-38(33(32)25-14-8-5-9-15-25)30(40)22-29(39)34-27-16-10-11-23(2)21-27/h4-21H,3,22H2,1-2H3,(H,34,39)
InChIKey
BJAQMUQSJYOMHN-UHFFFAOYSA-N
Compound name
3-[4-[(4-ethoxyphenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-N-(3-methylphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.22705 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.23433 233.8
[M+Na]+ 566.21627 237.3
[M-H]- 542.21977 249.0
[M+NH4]+ 561.26087 236.4
[M+K]+ 582.19021 231.2
[M+H-H2O]+ 526.22431 218.6
[M+HCOO]- 588.22525 257.7
[M+CH3COO]- 602.24090 240.4
[M+Na-2H]- 564.20172 233.5
[M]+ 543.22650 236.6
[M]- 543.22760 236.6
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

No patent data available for this compound.