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]+ 279.149176 163.6
[M+Na]+ 301.131118 169.6
[M-H]- 277.134624 168.3
[M+NH4]+ 296.175723 180.3
[M+K]+ 317.105058 168.0
[M+H-H2O]+ 261.139160 157.3
[M+HCOO]- 323.140101 178.7
[M+CH3COO]- 337.155751 173.6
[M+Na-2H]- 299.116566 169.6
[M]+ 278.14135142 157.9
[M]- 278.14244858 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.