CID 102594445

3-aminomethyl-2-fmoc-1,2,3,4-tetrahydro-isoquinoline hydrochloride

Structural Information

Molecular Formula
C25H24N2O2
SMILES
C1C(N(CC2=CC=CC=C21)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)CN
InChI
InChI=1S/C25H24N2O2/c26-14-19-13-17-7-1-2-8-18(17)15-27(19)25(28)29-16-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h1-12,19,24H,13-16,26H2
InChIKey
GHBGSKWVDCQDSR-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl 3-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.18378 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.19106 194.7
[M+Na]+ 407.17300 208.8
[M+NH4]+ 402.21760 203.9
[M+K]+ 423.14694 201.1
[M-H]- 383.17650 200.8
[M+Na-2H]- 405.15845 200.4
[M]+ 384.18323 198.5
[M]- 384.18433 198.5
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.