CID 46737446

Fmoc-dl-6-methoxy-1,2,3,4-tetrahydronorharman-1-carboxylic acid

Structural Information

Molecular Formula
C28H24N2O5
SMILES
COC1=CC2=C(C=C1)NC3=C2CCN(C3C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C28H24N2O5/c1-34-16-10-11-24-22(14-16)21-12-13-30(26(27(31)32)25(21)29-24)28(33)35-15-23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-11,14,23,26,29H,12-13,15H2,1H3,(H,31,32)
InChIKey
JUENHMAHPHBWKQ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.16852 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.17580 213.0
[M+Na]+ 491.15774 226.3
[M+NH4]+ 486.20234 219.7
[M+K]+ 507.13168 222.8
[M-H]- 467.16124 216.1
[M+Na-2H]- 489.14319 215.2
[M]+ 468.16797 215.7
[M]- 468.16907 215.7
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.