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

29198
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 167.9
[M-H]- 276.17576 165.4
[M+NH4]+ 295.21686 185.8
[M+K]+ 316.14620 161.9
[M+H-H2O]+ 260.18030 154.5
[M+HCOO]- 322.18124 177.3
[M+CH3COO]- 336.19689 173.2
[M+Na-2H]- 298.15771 174.6
[M]+ 277.18249 164.8
[M]- 277.18359 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.