CID 21087

Noxiptiline

Structural Information

Molecular Formula
C19H22N2O
SMILES
CN(C)CCON=C1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C19H22N2O/c1-21(2)13-14-22-20-19-17-9-5-3-7-15(17)11-12-16-8-4-6-10-18(16)19/h3-10H,11-14H2,1-2H3
InChIKey
GPTURHKXTUDRPC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)oxyethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

2899
Patents

294.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 168.0
[M+Na]+ 317.16244 172.8
[M-H]- 293.16594 176.5
[M+NH4]+ 312.20704 185.3
[M+K]+ 333.13638 173.9
[M+H-H2O]+ 277.17048 161.5
[M+HCOO]- 339.17142 191.2
[M+CH3COO]- 353.18707 215.1
[M+Na-2H]- 315.14789 174.8
[M]+ 294.17267 167.4
[M]- 294.17377 167.4
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