CID 102594445

1187932-19-9

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 192.7
[M+Na]+ 407.17300 198.6
[M-H]- 383.17650 199.4
[M+NH4]+ 402.21760 206.7
[M+K]+ 423.14694 191.6
[M+H-H2O]+ 367.18104 182.8
[M+HCOO]- 429.18198 208.7
[M+CH3COO]- 443.19763 201.3
[M+Na-2H]- 405.15845 194.4
[M]+ 384.18323 191.1
[M]- 384.18433 191.1
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.