CID 475289

Msh-372

Structural Information

Molecular Formula
C19H17FN4O3
SMILES
CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)O
InChI
InChI=1S/C19H17FN4O3/c1-2-15(25)11-4-5-13(20)17(18(11)26)12-7-14(12)23-19(27)24-16-6-3-10(8-21)9-22-16/h3-6,9,12,14,26H,2,7H2,1H3,(H2,22,23,24,27)
InChIKey
NKPHEWJJTGPRSL-UHFFFAOYSA-N
Compound name
1-(5-cyanopyridin-2-yl)-3-[2-(6-fluoro-2-hydroxy-3-propanoylphenyl)cyclopropyl]urea
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

9230
References

136
Patents

368.12848 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13576 181.5
[M+Na]+ 391.11770 195.3
[M-H]- 367.12120 188.1
[M+NH4]+ 386.16230 187.6
[M+K]+ 407.09164 185.8
[M+H-H2O]+ 351.12574 168.7
[M+HCOO]- 413.12668 200.0
[M+CH3COO]- 427.14233 230.3
[M+Na-2H]- 389.10315 182.8
[M]+ 368.12793 179.4
[M]- 368.12903 179.4
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