CID 78691

4998-23-6

Structural Information

Molecular Formula
C20H17ClN4O2
SMILES
CC1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)N=NC3=CC(=C(C=C3)O)C)Cl)O
InChI
InChI=1S/C20H17ClN4O2/c1-12-9-14(4-7-19(12)26)22-23-16-3-6-18(17(21)11-16)25-24-15-5-8-20(27)13(2)10-15/h3-11,26-27H,1-2H3
InChIKey
UVZYLHBBQONCRZ-UHFFFAOYSA-N
Compound name
4-[[3-chloro-4-[(4-hydroxy-3-methylphenyl)diazenyl]phenyl]diazenyl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

380.104 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.11128 192.1
[M+Na]+ 403.09322 201.5
[M-H]- 379.09672 205.3
[M+NH4]+ 398.13782 205.3
[M+K]+ 419.06716 196.1
[M+H-H2O]+ 363.10126 182.0
[M+HCOO]- 425.10220 218.7
[M+CH3COO]- 439.11785 233.0
[M+Na-2H]- 401.07867 196.8
[M]+ 380.10345 197.6
[M]- 380.10455 197.6
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.