CID 138393940

Ns00073703

Structural Information

Molecular Formula
C16H22ClN3O2
SMILES
COC1=C(C=CC(=C1Cl)N)C(=O)N[C@H]2CCN3CCC[C@H]2C3
InChI
InChI=1S/C16H22ClN3O2/c1-22-15-11(4-5-12(18)14(15)17)16(21)19-13-6-8-20-7-2-3-10(13)9-20/h4-5,10,13H,2-3,6-9,18H2,1H3,(H,19,21)/t10-,13-/m0/s1
InChIKey
YFUAYKVMQVBSNG-GWCFXTLKSA-N
Compound name
4-amino-N-[(4S,5S)-1-azabicyclo[3.3.1]nonan-4-yl]-3-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.14005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14733 174.7
[M+Na]+ 346.12927 179.7
[M-H]- 322.13277 177.8
[M+NH4]+ 341.17387 189.2
[M+K]+ 362.10321 174.8
[M+H-H2O]+ 306.13731 167.2
[M+HCOO]- 368.13825 185.9
[M+CH3COO]- 382.15390 212.7
[M+Na-2H]- 344.11472 176.5
[M]+ 323.13950 171.6
[M]- 323.14060 171.6
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.