CID 2735382

4-(3-nitrophenyl)pyrimidin-2-amine

Structural Information

Molecular Formula
C10H8N4O2
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NC=C2)N
InChI
InChI=1S/C10H8N4O2/c11-10-12-5-4-9(13-10)7-2-1-3-8(6-7)14(15)16/h1-6H,(H2,11,12,13)
InChIKey
PHOLBBCMCYYTSJ-UHFFFAOYSA-N
Compound name
4-(3-nitrophenyl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

216.06473 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.072006 142.6
[M+Na]+ 239.053948 150.3
[M-H]- 215.057454 146.9
[M+NH4]+ 234.098553 156.8
[M+K]+ 255.027888 142.7
[M+H-H2O]+ 199.061990 138.3
[M+HCOO]- 261.062931 167.2
[M+CH3COO]- 275.078581 183.1
[M+Na-2H]- 237.039396 152.4
[M]+ 216.06418142 139.1
[M]- 216.06527858 139.1
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