CID 99640033

1808714-73-9

Structural Information

Molecular Formula
C19H14F2N4O2
SMILES
C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F)F
InChI
InChI=1S/C19H14F2N4O2/c1-2-18(26)24-16-9-13(7-8-14(16)20)23-19(27)12-10-22-25(11-12)17-6-4-3-5-15(17)21/h2-11H,1H2,(H,23,27)(H,24,26)
InChIKey
SUSXQEYPNDORDQ-UHFFFAOYSA-N
Compound name
1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

368.1085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.11578 183.8
[M+Na]+ 391.09772 191.4
[M-H]- 367.10122 189.2
[M+NH4]+ 386.14232 194.1
[M+K]+ 407.07166 185.1
[M+H-H2O]+ 351.10576 171.7
[M+HCOO]- 413.10670 204.8
[M+CH3COO]- 427.12235 220.3
[M+Na-2H]- 389.08317 183.9
[M]+ 368.10795 181.4
[M]- 368.10905 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe