CID 477705

N-(adamantan-1-yl)-4-aminobenzamide

Structural Information

Molecular Formula
C17H22N2O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C17H22N2O/c18-15-3-1-14(2-4-15)16(20)19-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10,18H2,(H,19,20)
InChIKey
GMLISZLBSUORER-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-4-aminobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2
Patents

270.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 159.3
[M+Na]+ 293.16244 160.2
[M-H]- 269.16594 156.9
[M+NH4]+ 288.20704 181.4
[M+K]+ 309.13638 156.1
[M+H-H2O]+ 253.17048 151.6
[M+HCOO]- 315.17142 167.2
[M+CH3COO]- 329.18707 166.8
[M+Na-2H]- 291.14789 169.2
[M]+ 270.17267 156.3
[M]- 270.17377 156.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe