CID 5483292

2,4-bis(xylylazo)resorcinol

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CC1=CC(=C(C=C1)N/N=C/2\C=CC(=O)/C(=N/NC3=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/b25-19+,26-21-
InChIKey
JTHUBMQPODORFF-MHVONFLCSA-N
Compound name
(2Z,6E)-2,6-bis[(2,4-dimethylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

374.1743 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18158 191.3
[M+Na]+ 397.16352 200.4
[M-H]- 373.16702 204.8
[M+NH4]+ 392.20812 204.0
[M+K]+ 413.13746 195.1
[M+H-H2O]+ 357.17156 180.3
[M+HCOO]- 419.17250 222.0
[M+CH3COO]- 433.18815 235.6
[M+Na-2H]- 395.14897 194.8
[M]+ 374.17375 193.9
[M]- 374.17485 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