CID 64288

Brn 2915798

Structural Information

Molecular Formula
C24H25NO4
SMILES
C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)NC5=CC=CC=C5C(=O)O
InChI
InChI=1S/C24H25NO4/c26-21(27)19-3-1-2-4-20(19)25-18-7-5-17(6-8-18)23-10-15-9-16(11-23)13-24(12-15,14-23)22(28)29/h1-8,15-16,25H,9-14H2,(H,26,27)(H,28,29)
InChIKey
BIUBFJVDJRRNKO-UHFFFAOYSA-N
Compound name
3-[4-(2-carboxyanilino)phenyl]adamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.17834 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.18562 189.0
[M+Na]+ 414.16756 198.7
[M+NH4]+ 409.21216 200.9
[M+K]+ 430.14150 187.6
[M-H]- 390.17106 189.9
[M+Na-2H]- 412.15301 189.9
[M]+ 391.17779 190.8
[M]- 391.17889 190.8
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.