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
7
Annotation Hits

1163
References

29412
Patents

277.18304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.190316 163.7
[M+Na]+ 300.172258 167.9
[M-H]- 276.175764 165.4
[M+NH4]+ 295.216863 185.8
[M+K]+ 316.146198 161.9
[M+H-H2O]+ 260.180300 154.5
[M+HCOO]- 322.181241 177.3
[M+CH3COO]- 336.196891 173.2
[M+Na-2H]- 298.157706 174.6
[M]+ 277.18249142 164.8
[M]- 277.18358858 164.8
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