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 196.0
[M+Na]+ 411.26180 193.5
[M-H]- 387.26530 202.2
[M+NH4]+ 406.30640 203.9
[M+K]+ 427.23574 194.7
[M+H-H2O]+ 371.26984 185.6
[M+HCOO]- 433.27078 209.1
[M+CH3COO]- 447.28643 221.1
[M+Na-2H]- 409.24725 193.5
[M]+ 388.27203 187.4
[M]- 388.27313 187.4
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.