CID 10641

N-methylprotriptyline

Structural Information

Molecular Formula
C20H23N
SMILES
CN(C)CCCC1C2=CC=CC=C2C=CC3=CC=CC=C13
InChI
InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-11,13-14,20H,7,12,15H2,1-2H3
InChIKey
YVBGGZGCBWNVDX-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

26
Patents

277.18304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.190316 165.3
[M+Na]+ 300.172258 170.9
[M-H]- 276.175764 172.7
[M+NH4]+ 295.216863 183.1
[M+K]+ 316.146198 170.5
[M+H-H2O]+ 260.180300 159.8
[M+HCOO]- 322.181241 186.8
[M+CH3COO]- 336.196891 176.7
[M+Na-2H]- 298.157706 171.7
[M]+ 277.18249142 164.7
[M]- 277.18358858 164.7
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

patents stripe