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
3
Annotation Hits

1
References

1220
Patents

344.11206 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.119336 174.4
[M+Na]+ 367.101278 180.6
[M-H]- 343.104784 179.6
[M+NH4]+ 362.145883 184.1
[M+K]+ 383.075218 174.1
[M+H-H2O]+ 327.109320 169.4
[M+HCOO]- 389.110261 196.3
[M+CH3COO]- 403.125911 205.3
[M+Na-2H]- 365.086726 182.8
[M]+ 344.11151142 177.2
[M]- 344.11260858 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

literature stripe

Patent stripe

patents stripe