CID 9908251

763142-16-1

Structural Information

Molecular Formula
C18H12F3N5O2
SMILES
C1=CC2=C3C(=NN=C2C(=C1)F)C(=O)N(N3)C4=CC=C(C=C4)C(=O)NCC(F)F
InChI
InChI=1S/C18H12F3N5O2/c19-12-3-1-2-11-14(12)23-24-16-15(11)25-26(18(16)28)10-6-4-9(5-7-10)17(27)22-8-13(20)21/h1-7,13,25H,8H2,(H,22,27)
InChIKey
MHFKFNJSUZVGGZ-UHFFFAOYSA-N
Compound name
N-(2,2-difluoroethyl)-4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

387.0943 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.10158 186.0
[M+Na]+ 410.08352 197.4
[M-H]- 386.08702 185.7
[M+NH4]+ 405.12812 195.0
[M+K]+ 426.05746 189.0
[M+H-H2O]+ 370.09156 173.2
[M+HCOO]- 432.09250 200.2
[M+CH3COO]- 446.10815 194.5
[M+Na-2H]- 408.06897 188.8
[M]+ 387.09375 185.0
[M]- 387.09485 185.0
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

patents stripe