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]+ 400.154336 249.4
[M+Na]+ 422.136278 247.8
[M-H]- 398.139784 253.7
[M+NH4]+ 417.180883 243.0
[M+K]+ 438.110218 251.4
[M+H-H2O]+ 382.144320 235.2
[M+HCOO]- 444.145261 248.5
[M+CH3COO]- 458.160911 272.4
[M+Na-2H]- 420.121726 239.5
[M]+ 399.14651142 268.1
[M]- 399.14760858 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.