CID 4011

Maprotiline

Structural Information

Molecular Formula
C20H23N
SMILES
CNCCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
InChIKey
QSLMDECMDJKHMQ-UHFFFAOYSA-N
Compound name
N-methyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1162
References

27951
Patents

277.18304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 163.7
[M+Na]+ 300.17226 178.0
[M+NH4]+ 295.21686 177.6
[M+K]+ 316.14620 165.1
[M-H]- 276.17576 168.0
[M+Na-2H]- 298.15771 168.8
[M]+ 277.18249 167.5
[M]- 277.18359 167.5
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