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 (1R,5S)-3-(hydrazinecarbonyloxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

22
Patents

305.13754 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.144816 166.8
[M+Na]+ 328.126758 170.3
[M-H]- 304.130264 170.3
[M+NH4]+ 323.171363 182.4
[M+K]+ 344.100698 168.4
[M+H-H2O]+ 288.134800 159.0
[M+HCOO]- 350.135741 184.8
[M+CH3COO]- 364.151391 205.7
[M+Na-2H]- 326.112206 168.9
[M]+ 305.13699142 163.9
[M]- 305.13808858 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