CID 24721085

26904-64-3

Structural Information

Molecular Formula
C15H22N2O2
SMILES
C1C[C@H]2CN3[C@H](CC=CC3=O)[C@@H]4[C@H]2[N@@+](C1)(CCC4)[O-]
InChI
InChI=1S/C15H22N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h1,7,11-13,15H,2-6,8-10H2/t11-,12+,13+,15-,17+/m0/s1
InChIKey
QMGGMESMCJCABO-JARXUMMXSA-N
Compound name
(1R,2R,9S,13R,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

191
Patents

262.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 160.3
[M+Na]+ 285.15734 163.3
[M-H]- 261.16084 159.4
[M+NH4]+ 280.20194 177.7
[M+K]+ 301.13128 154.0
[M+H-H2O]+ 245.16538 155.3
[M+HCOO]- 307.16632 167.1
[M+CH3COO]- 321.18197 188.6
[M+Na-2H]- 283.14279 166.6
[M]+ 262.16757 148.9
[M]- 262.16867 148.9
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