CID 76368

3008-87-5

Structural Information

Molecular Formula
C23H22N2O
SMILES
CC1=NC2=C(C=CC3=C2C(=C1)C4=CC=CC=C4C3=O)NC5CCCCC5
InChI
InChI=1S/C23H22N2O/c1-14-13-19-16-9-5-6-10-17(16)23(26)18-11-12-20(22(24-14)21(18)19)25-15-7-3-2-4-8-15/h5-6,9-13,15,25H,2-4,7-8H2,1H3
InChIKey
SUVPVSBKLBGBFW-UHFFFAOYSA-N
Compound name
12-(cyclohexylamino)-15-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.17322 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.18050 183.0
[M+Na]+ 365.16244 199.3
[M+NH4]+ 360.20704 193.6
[M+K]+ 381.13638 188.4
[M-H]- 341.16594 190.1
[M+Na-2H]- 363.14789 189.9
[M]+ 342.17267 187.6
[M]- 342.17377 187.6
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.