CID 3056051

73335-98-5

Structural Information

Molecular Formula
C17H22N2O
SMILES
C1C[C@H]2[C@@H](C1)[C@H]3C[C@@H]2C[C@H]3NC(=O)C4=CC=C(C=C4)N
InChI
InChI=1S/C17H22N2O/c18-12-6-4-10(5-7-12)17(20)19-16-9-11-8-15(16)14-3-1-2-13(11)14/h4-7,11,13-16H,1-3,8-9,18H2,(H,19,20)/t11-,13-,14-,15-,16-/m1/s1
InChIKey
KVGVDLBGNKKCFB-JPIRQXTESA-N
Compound name
4-amino-N-[(1R,2R,6R,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.17322 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 163.2
[M+Na]+ 293.16244 168.0
[M-H]- 269.16594 169.7
[M+NH4]+ 288.20704 186.5
[M+K]+ 309.13638 163.6
[M+H-H2O]+ 253.17048 158.2
[M+HCOO]- 315.17142 183.3
[M+CH3COO]- 329.18707 174.3
[M+Na-2H]- 291.14789 161.9
[M]+ 270.17267 158.7
[M]- 270.17377 158.7
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.