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]+ 367.095626 186.6
[M+Na]+ 389.077568 195.6
[M-H]- 365.081074 199.6
[M+NH4]+ 384.122173 200.1
[M+K]+ 405.051508 190.3
[M+H-H2O]+ 349.085610 176.6
[M+HCOO]- 411.086551 213.6
[M+CH3COO]- 425.102201 228.8
[M+Na-2H]- 387.063016 192.6
[M]+ 366.08780142 191.4
[M]- 366.08889858 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.