CID 4187676

N-(3,4-difluorophenyl)-6-nitroquinazolin-4-amine

Structural Information

Molecular Formula
C14H8F2N4O2
SMILES
C1=CC(=C(C=C1NC2=NC=NC3=C2C=C(C=C3)[N+](=O)[O-])F)F
InChI
InChI=1S/C14H8F2N4O2/c15-11-3-1-8(5-12(11)16)19-14-10-6-9(20(21)22)2-4-13(10)17-7-18-14/h1-7H,(H,17,18,19)
InChIKey
XSQMYFTXSXHPDQ-UHFFFAOYSA-N
Compound name
N-(3,4-difluorophenyl)-6-nitroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

302.06152 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.06880 156.4
[M+Na]+ 325.05074 170.8
[M+NH4]+ 320.09534 163.0
[M+K]+ 341.02468 166.5
[M-H]- 301.05424 159.5
[M+Na-2H]- 323.03619 164.6
[M]+ 302.06097 159.1
[M]- 302.06207 159.1
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