CID 3075594

187231-58-9

Structural Information

Molecular Formula
C18H17FN6O
SMILES
C1CN(CCN1C2=CC=CC=N2)C(=O)C3=C(C4=C(C=C(C=C4)F)N=N3)N
InChI
InChI=1S/C18H17FN6O/c19-12-4-5-13-14(11-12)22-23-17(16(13)20)18(26)25-9-7-24(8-10-25)15-3-1-2-6-21-15/h1-6,11H,7-10H2,(H2,20,22)
InChIKey
VIQGYQAPOQJLII-UHFFFAOYSA-N
Compound name
(4-amino-7-fluorocinnolin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.14478 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.15206 186.5
[M+Na]+ 375.13400 193.8
[M-H]- 351.13750 188.2
[M+NH4]+ 370.17860 192.2
[M+K]+ 391.10794 186.0
[M+H-H2O]+ 335.14204 172.4
[M+HCOO]- 397.14298 197.8
[M+CH3COO]- 411.15863 193.4
[M+Na-2H]- 373.11945 189.9
[M]+ 352.14423 180.2
[M]- 352.14533 180.2
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.