CID 3075598

187231-62-5

Structural Information

Molecular Formula
C15H18FN5O
SMILES
C1CCN(C1)CCNC(=O)C2=NN=C3C(=C2N)C=CC=C3F
InChI
InChI=1S/C15H18FN5O/c16-11-5-3-4-10-12(17)14(20-19-13(10)11)15(22)18-6-9-21-7-1-2-8-21/h3-5H,1-2,6-9H2,(H2,17,19)(H,18,22)
InChIKey
PVRZVPDBTZWUSL-UHFFFAOYSA-N
Compound name
4-amino-8-fluoro-N-(2-pyrrolidin-1-ylethyl)cinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.14954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15682 168.9
[M+Na]+ 326.13876 175.4
[M-H]- 302.14226 170.6
[M+NH4]+ 321.18336 181.7
[M+K]+ 342.11270 170.2
[M+H-H2O]+ 286.14680 158.1
[M+HCOO]- 348.14774 186.5
[M+CH3COO]- 362.16339 178.2
[M+Na-2H]- 324.12421 171.2
[M]+ 303.14899 164.5
[M]- 303.15009 164.5
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.