CID 109750

68213-92-3

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CC1=CC(=C(C=C1)N=NC2=C(C=C(C(=C2)N=NC3=CC(=C(C=C3)C)C)O)O)C
InChI
InChI=1S/C22H22N4O2/c1-13-5-8-18(16(4)9-13)24-26-20-11-19(21(27)12-22(20)28)25-23-17-7-6-14(2)15(3)10-17/h5-12,27-28H,1-4H3
InChIKey
QZGBUHPYJVTGEH-UHFFFAOYSA-N
Compound name
4-[(2,4-dimethylphenyl)diazenyl]-6-[(3,4-dimethylphenyl)diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1743 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.181576 192.6
[M+Na]+ 397.163518 201.2
[M-H]- 373.167024 206.2
[M+NH4]+ 392.208123 205.4
[M+K]+ 413.137458 197.2
[M+H-H2O]+ 357.171560 181.6
[M+HCOO]- 419.172501 223.0
[M+CH3COO]- 433.188151 236.8
[M+Na-2H]- 395.148966 196.2
[M]+ 374.17375142 196.7
[M]- 374.17484858 196.7
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.