CID 475288

Urea-pett deriv. 15

Structural Information

Molecular Formula
C18H15FN4O3
SMILES
CC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)O
InChI
InChI=1S/C18H15FN4O3/c1-9(24)11-3-4-13(19)16(17(11)25)12-6-14(12)22-18(26)23-15-5-2-10(7-20)8-21-15/h2-5,8,12,14,25H,6H2,1H3,(H2,21,22,23,26)
InChIKey
MNZXPIGNPIOMFO-UHFFFAOYSA-N
Compound name
1-[2-(3-acetyl-6-fluoro-2-hydroxyphenyl)cyclopropyl]-3-(5-cyanopyridin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.11282 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12010 178.1
[M+Na]+ 377.10204 192.3
[M-H]- 353.10554 184.8
[M+NH4]+ 372.14664 184.7
[M+K]+ 393.07598 183.0
[M+H-H2O]+ 337.11008 165.4
[M+HCOO]- 399.11102 196.8
[M+CH3COO]- 413.12667 227.8
[M+Na-2H]- 375.08749 179.8
[M]+ 354.11227 175.6
[M]- 354.11337 175.6
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.