CID 165343480

2-cyano-3-(2,3,6,7-tetrahydro-1h,5h-benzo[ij]quinolizin-9-yl)-2-propenamide

Structural Information

Molecular Formula
C16H17N3O
SMILES
C1CC2=CC(=CC3=C2N(C1)CCC3)C=C(C#N)C(=O)N
InChI
InChI=1S/C16H17N3O/c17-10-14(16(18)20)9-11-7-12-3-1-5-19-6-2-4-13(8-11)15(12)19/h7-9H,1-6H2,(H2,18,20)
InChIKey
ATKLFAHTANQUCM-UHFFFAOYSA-N
Compound name
3-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-2-cyanoprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13718 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 166.0
[M+Na]+ 290.126398 172.9
[M-H]- 266.129904 166.5
[M+NH4]+ 285.171003 180.5
[M+K]+ 306.100338 165.2
[M+H-H2O]+ 250.134440 152.1
[M+HCOO]- 312.135381 176.8
[M+CH3COO]- 326.151031 173.7
[M+Na-2H]- 288.111846 168.3
[M]+ 267.13663142 155.5
[M]- 267.13772858 155.5
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.