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 202.2
[M+Na]+ 436.17622 207.9
[M-H]- 412.17972 208.9
[M+NH4]+ 431.22082 214.9
[M+K]+ 452.15016 201.0
[M+H-H2O]+ 396.18426 193.5
[M+HCOO]- 458.18520 214.4
[M+CH3COO]- 472.20085 210.2
[M+Na-2H]- 434.16167 199.5
[M]+ 413.18645 202.0
[M]- 413.18755 202.0
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.