CID 914052

Oprea1_171894

Structural Information

Molecular Formula
C17H18N2O2
SMILES
C1COCCN1C2=CC=C(C=C2)N=CC3=CC=C(C=C3)O
InChI
InChI=1S/C17H18N2O2/c20-17-7-1-14(2-8-17)13-18-15-3-5-16(6-4-15)19-9-11-21-12-10-19/h1-8,13,20H,9-12H2
InChIKey
UHTJYHTVZSXQEF-UHFFFAOYSA-N
Compound name
4-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.13684 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 166.0
[M+Na]+ 305.12606 170.9
[M-H]- 281.12956 174.1
[M+NH4]+ 300.17066 178.0
[M+K]+ 321.10000 167.4
[M+H-H2O]+ 265.13410 155.9
[M+HCOO]- 327.13504 185.7
[M+CH3COO]- 341.15069 176.4
[M+Na-2H]- 303.11151 171.5
[M]+ 282.13629 162.3
[M]- 282.13739 162.3
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.