CID 58600339

Maprotiline_3-oh

Structural Information

Molecular Formula
C20H23NO
SMILES
CNCCCC12CCC(C3=CC=CC=C31)C4=C2C=CC(=C4)O
InChI
InChI=1S/C20H23NO/c1-21-12-4-10-20-11-9-15(16-5-2-3-6-18(16)20)17-13-14(22)7-8-19(17)20/h2-3,5-8,13,15,21-22H,4,9-12H2,1H3
InChIKey
RGTALAKWLKCOBO-UHFFFAOYSA-N
Compound name
8-[3-(methylamino)propyl]tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

293.17798 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 167.7
[M+Na]+ 316.16720 172.3
[M-H]- 292.17070 168.4
[M+NH4]+ 311.21180 188.8
[M+K]+ 332.14114 166.4
[M+H-H2O]+ 276.17524 159.1
[M+HCOO]- 338.17618 179.9
[M+CH3COO]- 352.19183 176.7
[M+Na-2H]- 314.15265 177.9
[M]+ 293.17743 169.1
[M]- 293.17853 169.1
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