CID 64361

N-(3-adamantylacetyl)anthranilic acid

Structural Information

Molecular Formula
C19H23NO3
SMILES
C1C2CC3CC1CC(C2)(C3)CC(=O)NC4=CC=CC=C4C(=O)O
InChI
InChI=1S/C19H23NO3/c21-17(20-16-4-2-1-3-15(16)18(22)23)11-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,20,21)(H,22,23)
InChIKey
DRIJZVBQIBQALY-UHFFFAOYSA-N
Compound name
2-[[2-(1-adamantyl)acetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 170.6
[M+Na]+ 336.15702 179.0
[M+NH4]+ 331.20162 181.7
[M+K]+ 352.13096 170.2
[M-H]- 312.16052 169.8
[M+Na-2H]- 334.14247 168.5
[M]+ 313.16725 171.4
[M]- 313.16835 171.4
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.