CID 392332

Nsc692608

Structural Information

Molecular Formula
C14H14N2O3
SMILES
C1=CC=C(C(=C1)CO)N=[N+](C2=CC=CC=C2CO)[O-]
InChI
InChI=1S/C14H14N2O3/c17-9-11-5-1-3-7-13(11)15-16(19)14-8-4-2-6-12(14)10-18/h1-8,17-18H,9-10H2
InChIKey
OKCYVCFBMITAFC-UHFFFAOYSA-N
Compound name
[2-(hydroxymethyl)phenyl]-[2-(hydroxymethyl)phenyl]imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.10043 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 155.9
[M+Na]+ 281.08965 161.4
[M-H]- 257.09315 161.3
[M+NH4]+ 276.13425 170.7
[M+K]+ 297.06359 153.4
[M+H-H2O]+ 241.09769 152.7
[M+HCOO]- 303.09863 181.0
[M+CH3COO]- 317.11428 189.3
[M+Na-2H]- 279.07510 163.5
[M]+ 258.09988 153.4
[M]- 258.10098 153.4
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

No patent data available for this compound.