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]+ 268.14446 166.0
[M+Na]+ 290.12640 172.9
[M-H]- 266.12990 166.5
[M+NH4]+ 285.17100 180.5
[M+K]+ 306.10034 165.2
[M+H-H2O]+ 250.13444 152.1
[M+HCOO]- 312.13538 176.8
[M+CH3COO]- 326.15103 173.7
[M+Na-2H]- 288.11185 168.3
[M]+ 267.13663 155.5
[M]- 267.13773 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.