CID 146082349

1630743-40-6

Structural Information

Molecular Formula
C26H23NO4
SMILES
C1CC2=C(CN(C1)C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C=C(C=C2)C(=O)O
InChI
InChI=1S/C26H23NO4/c28-25(29)18-12-11-17-6-5-13-27(15-19(17)14-18)26(30)31-16-24-22-9-3-1-7-20(22)21-8-2-4-10-23(21)24/h1-4,7-12,14,24H,5-6,13,15-16H2,(H,28,29)
InChIKey
UXDHVRSPNHFMMI-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3,4,5-tetrahydro-2-benzazepine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.16272 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.17000 199.5
[M+Na]+ 436.15194 210.6
[M+NH4]+ 431.19654 206.2
[M+K]+ 452.12588 205.9
[M-H]- 412.15544 202.8
[M+Na-2H]- 434.13739 203.2
[M]+ 413.16217 202.0
[M]- 413.16327 202.0
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.