CID 3068199

83130-95-4

Structural Information

Molecular Formula
C23H28ClN3O2
SMILES
CC1=CC(=CC=C1)CN2C3CCC2CC(C3)NC(=O)C4=CC(=C(C=C4OC)N)Cl
InChI
InChI=1S/C23H28ClN3O2/c1-14-4-3-5-15(8-14)13-27-17-6-7-18(27)10-16(9-17)26-23(28)19-11-20(24)21(25)12-22(19)29-2/h3-5,8,11-12,16-18H,6-7,9-10,13,25H2,1-2H3,(H,26,28)
InChIKey
CVNSSRUTEWWFKS-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[8-[(3-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.187 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19428 200.2
[M+Na]+ 436.17622 212.1
[M+NH4]+ 431.22082 208.1
[M+K]+ 452.15016 205.6
[M-H]- 412.17972 205.8
[M+Na-2H]- 434.16167 204.4
[M]+ 413.18645 203.6
[M]- 413.18755 203.6
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.