CID 120089

28901-00-0

Structural Information

Molecular Formula
C19H15ClN4O2
SMILES
CC1=C(C=CC(=C1)O)N=NC2=CC(=C(C=C2)N=NC3=CC=C(C=C3)O)Cl
InChI
InChI=1S/C19H15ClN4O2/c1-12-10-16(26)7-9-18(12)23-22-14-4-8-19(17(20)11-14)24-21-13-2-5-15(25)6-3-13/h2-11,25-26H,1H3
InChIKey
SDEJJISBNQTXST-UHFFFAOYSA-N
Compound name
4-[[3-chloro-4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.08835 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.09563 186.6
[M+Na]+ 389.07757 195.6
[M-H]- 365.08107 199.6
[M+NH4]+ 384.12217 200.1
[M+K]+ 405.05151 190.3
[M+H-H2O]+ 349.08561 176.6
[M+HCOO]- 411.08655 213.6
[M+CH3COO]- 425.10220 228.8
[M+Na-2H]- 387.06302 192.6
[M]+ 366.08780 191.4
[M]- 366.08890 191.4
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.