CID 2756165

(2s,3as,7as)-1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-octahydro-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C24H25NO4
SMILES
C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
InChI
InChI=1S/C24H25NO4/c26-23(27)22-13-15-7-1-6-12-21(15)25(22)24(28)29-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,15,20-22H,1,6-7,12-14H2,(H,26,27)/t15-,21-,22-/m0/s1
InChIKey
JBZXLQHJZHITMW-RXYZOABWSA-N
Compound name
(2S,3aS,7aS)-1-(9H-fluoren-9-ylmethoxycarbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

157
Patents

391.17834 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 193.9
[M+Na]+ 414.16756 198.0
[M-H]- 390.17106 199.7
[M+NH4]+ 409.21216 209.0
[M+K]+ 430.14150 192.6
[M+H-H2O]+ 374.17560 186.4
[M+HCOO]- 436.17654 205.8
[M+CH3COO]- 450.19219 201.9
[M+Na-2H]- 412.15301 190.3
[M]+ 391.17779 191.5
[M]- 391.17889 191.5
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

patents stripe