CID 2847479

N-(1-adamantanoyl)anthranilic acid

Structural Information

Molecular Formula
C18H21NO3
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=CC=C4C(=O)O
InChI
InChI=1S/C18H21NO3/c20-16(21)14-3-1-2-4-15(14)19-17(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H,19,22)(H,20,21)
InChIKey
XKZLSYWCDJZTMW-UHFFFAOYSA-N
Compound name
2-(adamantane-1-carbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15941 166.6
[M+Na]+ 322.14135 166.9
[M-H]- 298.14485 163.1
[M+NH4]+ 317.18595 187.0
[M+K]+ 338.11529 163.3
[M+H-H2O]+ 282.14939 159.2
[M+HCOO]- 344.15033 171.6
[M+CH3COO]- 358.16598 173.2
[M+Na-2H]- 320.12680 175.2
[M]+ 299.15158 165.2
[M]- 299.15268 165.2
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.