CID 3077564

134749-26-1

Structural Information

Molecular Formula
C11H12FN5O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)F)NNC(=O)N)OC
InChI
InChI=1S/C11H12FN5O3/c1-19-7-3-5-6(4-8(7)20-2)14-10(12)15-9(5)16-17-11(13)18/h3-4H,1-2H3,(H3,13,17,18)(H,14,15,16)
InChIKey
NICSEMOOBLCWES-UHFFFAOYSA-N
Compound name
[(2-fluoro-6,7-dimethoxyquinazolin-4-yl)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0924 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.09968 159.1
[M+Na]+ 304.08162 168.0
[M-H]- 280.08512 160.2
[M+NH4]+ 299.12622 172.7
[M+K]+ 320.05556 165.4
[M+H-H2O]+ 264.08966 149.6
[M+HCOO]- 326.09060 181.4
[M+CH3COO]- 340.10625 208.2
[M+Na-2H]- 302.06707 165.4
[M]+ 281.09185 159.8
[M]- 281.09295 159.8
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.