CID 137216268

64696-98-6

Structural Information

Molecular Formula
C18H12N4O2
SMILES
C1=CC=C(C(=C1)C=N/C(=C(/C#N)\N=CC2=CC=CC=C2O)/C#N)O
InChI
InChI=1S/C18H12N4O2/c19-9-15(21-11-13-5-1-3-7-17(13)23)16(10-20)22-12-14-6-2-4-8-18(14)24/h1-8,11-12,23-24H/b16-15-,21-11?,22-12?
InChIKey
PSGXHCUDHIPKJP-KBBBXGLPSA-N
Compound name
(Z)-2,3-bis[(2-hydroxyphenyl)methylideneamino]but-2-enedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

316.09604 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10332 199.1
[M+Na]+ 339.08526 206.8
[M+NH4]+ 334.12986 198.2
[M+K]+ 355.05920 195.5
[M-H]- 315.08876 190.2
[M+Na-2H]- 337.07071 197.9
[M]+ 316.09549 196.2
[M]- 316.09659 196.2
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