CID 1268146

2-((((9h-fluoren-9-yl)methoxy)carbonyl)amino)-2,3-dihydro-1h-indene-2-carboxylic acid

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C25H21NO4/c27-23(28)25(13-16-7-1-2-8-17(16)14-25)26-24(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22H,13-15H2,(H,26,29)(H,27,28)
InChIKey
MCDKTZLMNAVTIJ-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-1,3-dihydroindene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

399.14706 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15434 194.7
[M+Na]+ 422.13628 200.9
[M-H]- 398.13978 202.9
[M+NH4]+ 417.18088 212.5
[M+K]+ 438.11022 195.2
[M+H-H2O]+ 382.14432 187.5
[M+HCOO]- 444.14526 213.0
[M+CH3COO]- 458.16091 204.2
[M+Na-2H]- 420.12173 196.3
[M]+ 399.14651 195.9
[M]- 399.14761 195.9
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