CID 207801

Brn 4034414

Structural Information

Molecular Formula
C24H21N5O3
SMILES
CC1=NN(C(=C1N=NC2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3)CC(C4=CC=CC=C4)O
InChI
InChI=1S/C24H21N5O3/c1-17-23(26-25-20-14-8-9-15-21(20)29(31)32)24(19-12-6-3-7-13-19)28(27-17)16-22(30)18-10-4-2-5-11-18/h2-15,22,30H,16H2,1H3
InChIKey
JLYXDCHRSJNGFB-UHFFFAOYSA-N
Compound name
2-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-phenylpyrazol-1-yl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.16443 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.17171 201.6
[M+Na]+ 450.15365 216.6
[M+NH4]+ 445.19825 207.9
[M+K]+ 466.12759 212.8
[M-H]- 426.15715 211.1
[M+Na-2H]- 448.13910 212.9
[M]+ 427.16388 206.3
[M]- 427.16498 206.3
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.