CID 137216268

Dtxsid801036371

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 191.1
[M+Na]+ 339.08526 199.1
[M-H]- 315.08876 194.6
[M+NH4]+ 334.12986 199.2
[M+K]+ 355.05920 193.0
[M+H-H2O]+ 299.09330 173.8
[M+HCOO]- 361.09424 203.1
[M+CH3COO]- 375.10989 232.7
[M+Na-2H]- 337.07071 189.7
[M]+ 316.09549 181.2
[M]- 316.09659 181.2
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