CID 135511243

4-[(1e,3e)-2,3-diaza-4-(2,4-dihydroxy-6-methylphenyl)buta-1,3-dienyl]-5-methylbenzene-1,3-diol

Structural Information

Molecular Formula
C16H16N2O4
SMILES
CC1=CC(=CC(=C1/C=N/N=C/C2=C(C=C(C=C2C)O)O)O)O
InChI
InChI=1S/C16H16N2O4/c1-9-3-11(19)5-15(21)13(9)7-17-18-8-14-10(2)4-12(20)6-16(14)22/h3-8,19-22H,1-2H3/b17-7+,18-8+
InChIKey
GUSABYUNTWEHQX-ZEELXFFVSA-N
Compound name
4-[(E)-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidenehydrazinylidene]methyl]-5-methylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.111 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11828 168.2
[M+Na]+ 323.10022 177.1
[M-H]- 299.10372 173.6
[M+NH4]+ 318.14482 182.2
[M+K]+ 339.07416 172.6
[M+H-H2O]+ 283.10826 160.6
[M+HCOO]- 345.10920 191.9
[M+CH3COO]- 359.12485 206.5
[M+Na-2H]- 321.08567 170.7
[M]+ 300.11045 169.4
[M]- 300.11155 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.