CID 207803

Brn 4026271

Structural Information

Molecular Formula
C26H26N4O
SMILES
CC1=C(C(=CC=C1)N=NC2=C(N(N=C2C)CC(C3=CC=CC=C3)O)C4=CC=CC=C4)C
InChI
InChI=1S/C26H26N4O/c1-18-11-10-16-23(19(18)2)27-28-25-20(3)29-30(26(25)22-14-8-5-9-15-22)17-24(31)21-12-6-4-7-13-21/h4-16,24,31H,17H2,1-3H3
InChIKey
GVZFDGASAPZAEY-UHFFFAOYSA-N
Compound name
2-[4-[(2,3-dimethylphenyl)diazenyl]-3-methyl-5-phenylpyrazol-1-yl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.21066 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.21794 202.9
[M+Na]+ 433.19988 209.6
[M-H]- 409.20338 214.8
[M+NH4]+ 428.24448 212.1
[M+K]+ 449.17382 202.9
[M+H-H2O]+ 393.20792 190.4
[M+HCOO]- 455.20886 226.5
[M+CH3COO]- 469.22451 212.3
[M+Na-2H]- 431.18533 203.3
[M]+ 410.21011 204.9
[M]- 410.21121 204.9
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.