CID 79974

1,3-benzenediol, 2,4-bis[(dimethylphenyl)azo]-

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CC1=CC(=C(C=C1)NN=C2C=CC(=O)C(=NNC3=C(C=C(C=C3)C)C)C2=O)C
InChI
InChI=1S/C22H22N4O2/c1-13-5-7-17(15(3)11-13)23-25-19-9-10-20(27)21(22(19)28)26-24-18-8-6-14(2)12-16(18)4/h5-12,23-24H,1-4H3
InChIKey
JTHUBMQPODORFF-UHFFFAOYSA-N
Compound name
2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

374.1743 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.181576 191.3
[M+Na]+ 397.163518 200.4
[M-H]- 373.167024 204.8
[M+NH4]+ 392.208123 204.0
[M+K]+ 413.137458 195.1
[M+H-H2O]+ 357.171560 180.3
[M+HCOO]- 419.172501 222.0
[M+CH3COO]- 433.188151 235.6
[M+Na-2H]- 395.148966 194.8
[M]+ 374.17375142 193.9
[M]- 374.17484858 193.9
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

patents stripe