CID 103164

Einecs 265-396-1

Structural Information

Molecular Formula
C20H22N2O2
SMILES
C1CC(C(C1)N=CC2=CC=CC=C2O)CN=CC3=CC=CC=C3O
InChI
InChI=1S/C20H22N2O2/c23-19-10-3-1-6-16(19)13-21-12-15-8-5-9-18(15)22-14-17-7-2-4-11-20(17)24/h1-4,6-7,10-11,13-15,18,23-24H,5,8-9,12H2
InChIKey
SQWPYVWIMWPZGC-UHFFFAOYSA-N
Compound name
2-[[2-[(2-hydroxyphenyl)methylideneamino]cyclopentyl]methyliminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 176.1
[M+Na]+ 345.15734 180.8
[M-H]- 321.16084 185.4
[M+NH4]+ 340.20194 191.2
[M+K]+ 361.13128 175.4
[M+H-H2O]+ 305.16538 167.2
[M+HCOO]- 367.16632 200.7
[M+CH3COO]- 381.18197 211.1
[M+Na-2H]- 343.14279 177.8
[M]+ 322.16757 173.7
[M]- 322.16867 173.7
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.