CID 9800555

743420-02-2

Structural Information

Molecular Formula
C22H19FN4O2
SMILES
C1=CC(=CN=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)N
InChI
InChI=1S/C22H19FN4O2/c23-18-8-9-19(24)20(12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
InChIKey
WXHHICFWKXDFOW-BJMVGYQFSA-N
Compound name
N-(2-amino-5-fluorophenyl)-4-[[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

219
References

2178
Patents

390.1492 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15648 193.2
[M+Na]+ 413.13842 198.0
[M-H]- 389.14192 199.5
[M+NH4]+ 408.18302 201.3
[M+K]+ 429.11236 191.4
[M+H-H2O]+ 373.14646 181.2
[M+HCOO]- 435.14740 215.1
[M+CH3COO]- 449.16305 227.1
[M+Na-2H]- 411.12387 195.1
[M]+ 390.14865 189.3
[M]- 390.14975 189.3
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