CID 3075597

187231-61-4

Structural Information

Molecular Formula
C15H20FN5O
SMILES
CCN(CC)CCNC(=O)C1=NN=C2C(=C1N)C=CC=C2F
InChI
InChI=1S/C15H20FN5O/c1-3-21(4-2)9-8-18-15(22)14-12(17)10-6-5-7-11(16)13(10)19-20-14/h5-7H,3-4,8-9H2,1-2H3,(H2,17,19)(H,18,22)
InChIKey
LCIAUKLATLRGPJ-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(diethylamino)ethyl]-8-fluorocinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1652 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.17248 172.0
[M+Na]+ 328.15442 178.6
[M-H]- 304.15792 173.4
[M+NH4]+ 323.19902 185.1
[M+K]+ 344.12836 175.2
[M+H-H2O]+ 288.16246 161.7
[M+HCOO]- 350.16340 193.1
[M+CH3COO]- 364.17905 217.6
[M+Na-2H]- 326.13987 176.1
[M]+ 305.16465 172.1
[M]- 305.16575 172.1
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.