CID 394202

Nsc697484

Structural Information

Molecular Formula
C19H29N3
SMILES
CN(C)C1=CC=C(C=C1)C=NCC2CCCN3C2CCCC3
InChI
InChI=1S/C19H29N3/c1-21(2)18-10-8-16(9-11-18)14-20-15-17-6-5-13-22-12-4-3-7-19(17)22/h8-11,14,17,19H,3-7,12-13,15H2,1-2H3
InChIKey
ZUNFVGFZOHJFDE-UHFFFAOYSA-N
Compound name
4-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyliminomethyl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

299.23615 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.24343 173.9
[M+Na]+ 322.22537 175.4
[M-H]- 298.22887 180.3
[M+NH4]+ 317.26997 188.7
[M+K]+ 338.19931 172.0
[M+H-H2O]+ 282.23341 163.4
[M+HCOO]- 344.23435 191.9
[M+CH3COO]- 358.25000 215.5
[M+Na-2H]- 320.21082 176.4
[M]+ 299.23560 168.2
[M]- 299.23670 168.2
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

No patent data available for this compound.