CID 225709

Rd3-0188

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CC(=NCCN=C(C)C1=CC=CC=C1O)C2=CC=CC=C2O
InChI
InChI=1S/C18H20N2O2/c1-13(15-7-3-5-9-17(15)21)19-11-12-20-14(2)16-8-4-6-10-18(16)22/h3-10,21-22H,11-12H2,1-2H3
InChIKey
HBWQABMAERJRHP-UHFFFAOYSA-N
Compound name
2-[N-[2-[1-(2-hydroxyphenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

296.15247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 171.2
[M+Na]+ 319.14169 176.2
[M-H]- 295.14519 177.7
[M+NH4]+ 314.18629 185.6
[M+K]+ 335.11563 172.4
[M+H-H2O]+ 279.14973 162.7
[M+HCOO]- 341.15067 195.1
[M+CH3COO]- 355.16632 209.2
[M+Na-2H]- 317.12714 174.0
[M]+ 296.15192 171.1
[M]- 296.15302 171.1
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

patents stripe