CID 155858311

2386966-25-0

Structural Information

Molecular Formula
C25H21NO4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC45C6C7C4C8C5C6C78C(=O)O
InChI
InChI=1S/C25H21NO4/c27-22(28)25-19-16-20(25)18-21(25)17(19)24(16,18)10-26-23(29)30-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-21H,9-10H2,(H,26,29)(H,27,28)
InChIKey
AAMIRHWCDXGSJT-UHFFFAOYSA-N
Compound name
4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cubane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.14706 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.15434 249.4
[M+Na]+ 422.13628 247.8
[M-H]- 398.13978 253.7
[M+NH4]+ 417.18088 243.0
[M+K]+ 438.11022 251.4
[M+H-H2O]+ 382.14432 235.2
[M+HCOO]- 444.14526 248.5
[M+CH3COO]- 458.16091 272.4
[M+Na-2H]- 420.12173 239.5
[M]+ 399.14651 268.1
[M]- 399.14761 268.1
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.