CID 21139

Nifurquinazol

Structural Information

Molecular Formula
C16H16N4O5
SMILES
C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(O3)[N+](=O)[O-])N(CCO)CCO
InChI
InChI=1S/C16H16N4O5/c21-9-7-19(8-10-22)16-11-3-1-2-4-12(11)17-15(18-16)13-5-6-14(25-13)20(23)24/h1-6,21-22H,7-10H2
InChIKey
AUEOHSUMWXAPBX-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[2-(5-nitrofuran-2-yl)quinazolin-4-yl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1316
Patents

344.11206 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11934 174.4
[M+Na]+ 367.10128 180.6
[M-H]- 343.10478 179.6
[M+NH4]+ 362.14588 184.1
[M+K]+ 383.07522 174.1
[M+H-H2O]+ 327.10932 169.4
[M+HCOO]- 389.11026 196.3
[M+CH3COO]- 403.12591 205.3
[M+Na-2H]- 365.08673 182.8
[M]+ 344.11151 177.2
[M]- 344.11261 177.2
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.