CID 70838704

Ica-105665

Structural Information

Molecular Formula
C19H15F2N3O2
SMILES
C1CC1C2=NC3=C(C=CC(=C3)F)C(=O)N2NC(=O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C19H15F2N3O2/c20-13-5-1-11(2-6-13)9-17(25)23-24-18(12-3-4-12)22-16-10-14(21)7-8-15(16)19(24)26/h1-2,5-8,10,12H,3-4,9H2,(H,23,25)
InChIKey
QVQACHQOSXTOLH-UHFFFAOYSA-N
Compound name
N-(2-cyclopropyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(4-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

54
Patents

355.11322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12050 182.7
[M+Na]+ 378.10244 193.9
[M-H]- 354.10594 188.8
[M+NH4]+ 373.14704 188.9
[M+K]+ 394.07638 185.8
[M+H-H2O]+ 338.11048 170.9
[M+HCOO]- 400.11142 201.5
[M+CH3COO]- 414.12707 192.1
[M+Na-2H]- 376.08789 185.6
[M]+ 355.11267 183.9
[M]- 355.11377 183.9
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