CID 3075600

187231-65-8

Structural Information

Molecular Formula
C15H19FN4O2
SMILES
CCN(CC)CCNC(=O)C1=NNC2=C(C1=O)C=CC=C2F
InChI
InChI=1S/C15H19FN4O2/c1-3-20(4-2)9-8-17-15(22)13-14(21)10-6-5-7-11(16)12(10)18-19-13/h5-7H,3-4,8-9H2,1-2H3,(H,17,22)(H,18,21)
InChIKey
AAMDEFMSMSHHPQ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-8-fluoro-4-oxo-1H-cinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.1492 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15648 170.4
[M+Na]+ 329.13842 177.6
[M-H]- 305.14192 170.9
[M+NH4]+ 324.18302 183.2
[M+K]+ 345.11236 173.5
[M+H-H2O]+ 289.14646 160.6
[M+HCOO]- 351.14740 189.9
[M+CH3COO]- 365.16305 212.0
[M+Na-2H]- 327.12387 174.6
[M]+ 306.14865 171.0
[M]- 306.14975 171.0
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.