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]+ 271.180496 163.2
[M+Na]+ 293.162438 168.0
[M-H]- 269.165944 169.7
[M+NH4]+ 288.207043 186.5
[M+K]+ 309.136378 163.6
[M+H-H2O]+ 253.170480 158.2
[M+HCOO]- 315.171421 183.3
[M+CH3COO]- 329.187071 174.3
[M+Na-2H]- 291.147886 161.9
[M]+ 270.17267142 158.7
[M]- 270.17376858 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.