CID 44463

Ciramadol

Structural Information

Molecular Formula
C15H23NO2
SMILES
CN(C)[C@H]([C@H]1CCCC[C@H]1O)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO2/c1-16(2)15(11-6-5-7-12(17)10-11)13-8-3-4-9-14(13)18/h5-7,10,13-15,17-18H,3-4,8-9H2,1-2H3/t13-,14+,15-/m0/s1
InChIKey
UVTLONZTPXCUPU-ZNMIVQPWSA-N
Compound name
3-[(R)-dimethylamino-[(1R,2R)-2-hydroxycyclohexyl]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

2071
Patents

249.17288 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 159.9
[M+Na]+ 272.16210 170.2
[M+NH4]+ 267.20670 168.0
[M+K]+ 288.13604 164.5
[M-H]- 248.16560 163.8
[M+Na-2H]- 270.14755 165.7
[M]+ 249.17233 162.3
[M]- 249.17343 162.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe