CID 2859895

Rcl l208973

Structural Information

Molecular Formula
C18H17NO2
SMILES
CC1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C5
InChI
InChI=1S/C18H17NO2/c1-9-3-2-4-10(7-9)19-17(20)15-11-5-6-12(14-8-13(11)14)16(15)18(19)21/h2-7,11-16H,8H2,1H3
InChIKey
UDUWKOSPPFZGMW-UHFFFAOYSA-N
Compound name
4-(3-methylphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.12592 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.133196 162.3
[M+Na]+ 302.115138 171.7
[M-H]- 278.118644 167.1
[M+NH4]+ 297.159743 178.8
[M+K]+ 318.089078 164.7
[M+H-H2O]+ 262.123180 154.7
[M+HCOO]- 324.124121 173.7
[M+CH3COO]- 338.139771 172.7
[M+Na-2H]- 300.100586 166.5
[M]+ 279.12537142 166.9
[M]- 279.12646858 166.9
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.