CID 3075208

172800-00-9

Structural Information

Molecular Formula
C23H36N2O3
SMILES
CCCOC1=CC=CC=C1NC(=O)O[C@@H]2CCCCC[C@H]2CN3CCCCC3
InChI
InChI=1S/C23H36N2O3/c1-2-17-27-22-14-8-7-12-20(22)24-23(26)28-21-13-6-3-5-11-19(21)18-25-15-9-4-10-16-25/h7-8,12,14,19,21H,2-6,9-11,13,15-18H2,1H3,(H,24,26)/t19-,21+/m0/s1
InChIKey
RSJGVQZYRUTBQS-PZJWPPBQSA-N
Compound name
[(1R,2S)-2-(piperidin-1-ylmethyl)cycloheptyl] N-(2-propoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.27258 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.27986 200.2
[M+Na]+ 411.26180 207.1
[M+NH4]+ 406.30640 205.7
[M+K]+ 427.23574 201.1
[M-H]- 387.26530 204.3
[M+Na-2H]- 409.24725 204.5
[M]+ 388.27203 202.0
[M]- 388.27313 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.