CID 209306

Brn 1351911

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1CC2=CC=CC=C2C3CN(CC4=CC=CC1=C34)C(=O)N
InChI
InChI=1S/C18H18N2O/c19-18(21)20-10-14-6-3-5-13-9-8-12-4-1-2-7-15(12)16(11-20)17(13)14/h1-7,16H,8-11H2,(H2,19,21)
InChIKey
SOXFMUXCRCFKMX-UHFFFAOYSA-N
Compound name
16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaene-16-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 163.6
[M+Na]+ 301.13112 169.6
[M-H]- 277.13462 168.3
[M+NH4]+ 296.17572 180.3
[M+K]+ 317.10506 168.0
[M+H-H2O]+ 261.13916 157.3
[M+HCOO]- 323.14010 178.7
[M+CH3COO]- 337.15575 173.6
[M+Na-2H]- 299.11657 169.6
[M]+ 278.14135 157.9
[M]- 278.14245 157.9
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.