CID 40157

51868-65-6

Structural Information

Molecular Formula
C15H17NO
SMILES
CN1C2CCC1[C@@H]3[C@H](C2)C4=CC=CC=C4C3=O
InChI
InChI=1S/C15H17NO/c1-16-9-6-7-13(16)14-12(8-9)10-4-2-3-5-11(10)15(14)17/h2-5,9,12-14H,6-8H2,1H3/t9?,12-,13?,14+/m1/s1
InChIKey
ODWXTINZGPPJOL-SXNPUNGBSA-N
Compound name
(2S,10S)-15-methyl-15-azatetracyclo[10.2.1.02,10.04,9]pentadeca-4,6,8-trien-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.13101 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13829 152.3
[M+Na]+ 250.12023 161.1
[M-H]- 226.12373 155.9
[M+NH4]+ 245.16483 176.7
[M+K]+ 266.09417 156.1
[M+H-H2O]+ 210.12827 146.8
[M+HCOO]- 272.12921 168.8
[M+CH3COO]- 286.14486 164.7
[M+Na-2H]- 248.10568 154.5
[M]+ 227.13046 151.0
[M]- 227.13156 151.0
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.