CID 145944449

(1s,7r,8r,14s)-15,17-diazatetracyclo[12.2.2.1(3,7).1(8,12)]icosa-3(20),12(19)-diene-6,9-dione

Structural Information

Molecular Formula
C18H24N2O2
SMILES
C1CC(=O)[C@@H]2C=C1C[C@H]3CN[C@@H](CC4=C[C@H]2C(=O)CC4)CN3
InChI
InChI=1S/C18H24N2O2/c21-17-3-1-11-5-13-9-20-14(10-19-13)6-12-2-4-18(22)16(8-12)15(17)7-11/h7-8,13-16,19-20H,1-6,9-10H2/t13-,14-,15+,16+/m0/s1
InChIKey
TYXGLUBBUSNWRI-CAOSSQGBSA-N
Compound name
(1S,7R,8R,14S)-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene-6,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 174.1
[M+Na]+ 323.17300 172.9
[M-H]- 299.17650 157.4
[M+NH4]+ 318.21760 186.1
[M+K]+ 339.14694 170.0
[M+H-H2O]+ 283.18104 171.6
[M+HCOO]- 345.18198 169.6
[M+CH3COO]- 359.19763 175.8
[M+Na-2H]- 321.15845 178.8
[M]+ 300.18323 164.7
[M]- 300.18433 164.7
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.