CID 68836

Tropabazate

Structural Information

Molecular Formula
C15H19N3O4
SMILES
C1C[C@H]2CC(C[C@@H]1N2C(=O)OC3=CC=CC=C3)OC(=O)NN
InChI
InChI=1S/C15H19N3O4/c16-17-14(19)21-13-8-10-6-7-11(9-13)18(10)15(20)22-12-4-2-1-3-5-12/h1-5,10-11,13H,6-9,16H2,(H,17,19)/t10-,11+,13?
InChIKey
SGSSRQHQTWWMIF-QYJAPNMZSA-N
Compound name
phenyl (1S,5R)-3-(hydrazinecarbonyloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

305.13754 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14482 166.8
[M+Na]+ 328.12676 170.3
[M-H]- 304.13026 170.3
[M+NH4]+ 323.17136 182.4
[M+K]+ 344.10070 168.4
[M+H-H2O]+ 288.13480 159.0
[M+HCOO]- 350.13574 184.8
[M+CH3COO]- 364.15139 205.7
[M+Na-2H]- 326.11221 168.9
[M]+ 305.13699 163.9
[M]- 305.13809 163.9
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

patents stripe