CID 76968506

Taclamine hcl

Structural Information

Molecular Formula
C21H23N
SMILES
C1CCN2C[C@H]3C4=CC=CC=C4CCC5=C3C(=CC=C5)[C@@H]2C1
InChI
InChI=1S/C21H23N/c1-2-8-17-15(6-1)11-12-16-7-5-9-18-20-10-3-4-13-22(20)14-19(17)21(16)18/h1-2,5-9,19-20H,3-4,10-14H2/t19-,20-/m0/s1
InChIKey
BFHGFZIDLRXFJE-PMACEKPBSA-N
Compound name
(1S,8S)-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

289.18304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.19032 168.6
[M+Na]+ 312.17226 181.7
[M+NH4]+ 307.21686 179.6
[M+K]+ 328.14620 172.8
[M-H]- 288.17576 173.5
[M+Na-2H]- 310.15771 173.4
[M]+ 289.18249 172.2
[M]- 289.18359 172.2
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