CID 3059390

76352-17-5

Structural Information

Molecular Formula
C20H24ClN3O2S
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CSC=C4)Cl)N
InChI
InChI=1S/C20H24ClN3O2S/c1-26-19-9-18(22)17(21)8-16(19)20(25)23-13-6-14-2-3-15(7-13)24(14)10-12-4-5-27-11-12/h4-5,8-9,11,13-15H,2-3,6-7,10,22H2,1H3,(H,23,25)
InChIKey
QPCGPIVPPXMXSL-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[8-(thiophen-3-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12778 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13506 195.8
[M+Na]+ 428.11700 202.3
[M-H]- 404.12050 203.3
[M+NH4]+ 423.16160 211.5
[M+K]+ 444.09094 196.1
[M+H-H2O]+ 388.12504 189.8
[M+HCOO]- 450.12598 205.3
[M+CH3COO]- 464.14163 204.7
[M+Na-2H]- 426.10245 191.6
[M]+ 405.12723 198.1
[M]- 405.12833 198.1
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.