CID 165361716

Ptcgpbskccenmv-uhfffaoysa-n

Structural Information

Molecular Formula
C28H38N4O
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C
InChI
InChI=1S/C28H38N4O/c1-3-4-5-6-7-8-9-10-11-13-16-24-19-21-25(22-20-24)29-30-27-23(2)31-32(28(27)33)26-17-14-12-15-18-26/h12,14-15,17-22,27H,3-11,13,16H2,1-2H3
InChIKey
PTCGPBSKCCENMV-UHFFFAOYSA-N
Compound name
4-[(4-dodecylphenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.30457 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.31185 216.1
[M+Na]+ 469.29379 219.8
[M-H]- 445.29729 224.3
[M+NH4]+ 464.33839 224.8
[M+K]+ 485.26773 213.0
[M+H-H2O]+ 429.30183 203.0
[M+HCOO]- 491.30277 239.2
[M+CH3COO]- 505.31842 244.0
[M+Na-2H]- 467.27924 214.5
[M]+ 446.30402 221.3
[M]- 446.30512 221.3
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

No patent data available for this compound.