CID 142918

Nsc261629

Structural Information

Molecular Formula
C20H25N3O2
SMILES
C1=CC=C(C(=C1)C=NCCCNCCCN=CC2=CC=CC=C2O)O
InChI
InChI=1S/C20H25N3O2/c24-19-9-3-1-7-17(19)15-22-13-5-11-21-12-6-14-23-16-18-8-2-4-10-20(18)25/h1-4,7-10,15-16,21,24-25H,5-6,11-14H2
InChIKey
PHYCNXXYJSMREF-UHFFFAOYSA-N
Compound name
2-[3-[3-[(2-hydroxyphenyl)methylideneamino]propylamino]propyliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

339.19467 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20195 181.3
[M+Na]+ 362.18389 185.0
[M-H]- 338.18739 187.0
[M+NH4]+ 357.22849 193.6
[M+K]+ 378.15783 179.6
[M+H-H2O]+ 322.19193 171.5
[M+HCOO]- 384.19287 207.4
[M+CH3COO]- 398.20852 218.7
[M+Na-2H]- 360.16934 186.0
[M]+ 339.19412 182.3
[M]- 339.19522 182.3
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