CID 132327757

2137804-79-4

Structural Information

Molecular Formula
C22H17NO4S
SMILES
C1C2=C(CN1C(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)SC(=C2)C(=O)O
InChI
InChI=1S/C22H17NO4S/c24-21(25)19-9-13-10-23(11-20(13)28-19)22(26)27-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-9,18H,10-12H2,(H,24,25)
InChIKey
PTYQCQZUWWRRCH-UHFFFAOYSA-N
Compound name
5-(9H-fluoren-9-ylmethoxycarbonyl)-4,6-dihydrothieno[2,3-c]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.08783 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.09511 193.7
[M+Na]+ 414.07705 202.5
[M-H]- 390.08055 202.2
[M+NH4]+ 409.12165 212.3
[M+K]+ 430.05099 198.1
[M+H-H2O]+ 374.08509 189.7
[M+HCOO]- 436.08603 207.5
[M+CH3COO]- 450.10168 204.3
[M+Na-2H]- 412.06250 190.1
[M]+ 391.08728 199.7
[M]- 391.08838 199.7
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.