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]+ 385.191056 192.7
[M+Na]+ 407.172998 198.6
[M-H]- 383.176504 199.4
[M+NH4]+ 402.217603 206.7
[M+K]+ 423.146938 191.6
[M+H-H2O]+ 367.181040 182.8
[M+HCOO]- 429.181981 208.7
[M+CH3COO]- 443.197631 201.3
[M+Na-2H]- 405.158446 194.4
[M]+ 384.18323142 191.1
[M]- 384.18432858 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.