CID 394203

Nsc697485

Structural Information

Molecular Formula
C17H24N2O
SMILES
C1CCN2CCCC(C2C1)CN=CC3=CC=C(C=C3)O
InChI
InChI=1S/C17H24N2O/c20-16-8-6-14(7-9-16)12-18-13-15-4-3-11-19-10-2-1-5-17(15)19/h6-9,12,15,17,20H,1-5,10-11,13H2
InChIKey
CQQPHVVCNFQDKX-UHFFFAOYSA-N
Compound name
4-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 164.9
[M+Na]+ 295.17809 167.7
[M-H]- 271.18159 169.0
[M+NH4]+ 290.22269 179.9
[M+K]+ 311.15203 163.0
[M+H-H2O]+ 255.18613 155.6
[M+HCOO]- 317.18707 180.9
[M+CH3COO]- 331.20272 174.0
[M+Na-2H]- 293.16354 168.5
[M]+ 272.18832 157.7
[M]- 272.18942 157.7
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.