CID 41049

Meptazinol

Structural Information

Molecular Formula
C15H23NO
SMILES
CCC1(CCCCN(C1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H23NO/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13/h6-8,11,17H,3-5,9-10,12H2,1-2H3
InChIKey
JLICHNCFTLFZJN-UHFFFAOYSA-N
Compound name
3-(3-ethyl-1-methylazepan-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

224
References

8825
Patents

233.17796 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 153.5
[M+Na]+ 256.16718 157.4
[M-H]- 232.17068 157.9
[M+NH4]+ 251.21178 170.1
[M+K]+ 272.14112 157.9
[M+H-H2O]+ 216.17522 146.6
[M+HCOO]- 278.17616 170.1
[M+CH3COO]- 292.19181 191.2
[M+Na-2H]- 254.15263 156.8
[M]+ 233.17741 146.8
[M]- 233.17851 146.8
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