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 161.3
[M+Na]+ 325.05074 170.1
[M-H]- 301.05424 164.3
[M+NH4]+ 320.09534 173.3
[M+K]+ 341.02468 160.4
[M+H-H2O]+ 285.05878 154.3
[M+HCOO]- 347.05972 182.5
[M+CH3COO]- 361.07537 201.4
[M+Na-2H]- 323.03619 170.7
[M]+ 302.06097 157.6
[M]- 302.06207 157.6
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