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
2
Annotation Hits

0
References

14
Patents

277.18304 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 165.3
[M+Na]+ 300.17226 170.9
[M-H]- 276.17576 172.7
[M+NH4]+ 295.21686 183.1
[M+K]+ 316.14620 170.5
[M+H-H2O]+ 260.18030 159.8
[M+HCOO]- 322.18124 186.8
[M+CH3COO]- 336.19689 176.7
[M+Na-2H]- 298.15771 171.7
[M]+ 277.18249 164.7
[M]- 277.18359 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