CID 3075593

187231-57-8

Structural Information

Molecular Formula
C16H22FN5O
SMILES
CCN(CC)CCCNC(=O)C1=C(C2=C(C=C(C=C2)F)N=N1)N
InChI
InChI=1S/C16H22FN5O/c1-3-22(4-2)9-5-8-19-16(23)15-14(18)12-7-6-11(17)10-13(12)20-21-15/h6-7,10H,3-5,8-9H2,1-2H3,(H2,18,20)(H,19,23)
InChIKey
APRFPOVJFHHOHB-UHFFFAOYSA-N
Compound name
4-amino-N-[3-(diethylamino)propyl]-7-fluorocinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.18085 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.18813 176.5
[M+Na]+ 342.17007 182.7
[M-H]- 318.17357 177.7
[M+NH4]+ 337.21467 189.0
[M+K]+ 358.14401 179.0
[M+H-H2O]+ 302.17811 166.0
[M+HCOO]- 364.17905 197.2
[M+CH3COO]- 378.19470 220.6
[M+Na-2H]- 340.15552 180.0
[M]+ 319.18030 176.9
[M]- 319.18140 176.9
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.