CID 243870

3694-33-5

Structural Information

Molecular Formula
C17H18N2O3
SMILES
C1=CC=C(C(=C1)C=NCC(CN=CC2=CC=CC=C2O)O)O
InChI
InChI=1S/C17H18N2O3/c20-15(11-18-9-13-5-1-3-7-16(13)21)12-19-10-14-6-2-4-8-17(14)22/h1-10,15,20-22H,11-12H2
InChIKey
STCBWDOQWRPRIX-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-3-[(2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

25
Patents

298.13174 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 169.0
[M+Na]+ 321.12096 174.1
[M-H]- 297.12446 174.2
[M+NH4]+ 316.16556 182.6
[M+K]+ 337.09490 169.8
[M+H-H2O]+ 281.12900 160.6
[M+HCOO]- 343.12994 193.0
[M+CH3COO]- 357.14559 205.1
[M+Na-2H]- 319.10641 173.2
[M]+ 298.13119 168.7
[M]- 298.13229 168.7
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