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]+ 217.07201 142.6
[M+Na]+ 239.05395 150.3
[M-H]- 215.05745 146.9
[M+NH4]+ 234.09855 156.8
[M+K]+ 255.02789 142.7
[M+H-H2O]+ 199.06199 138.3
[M+HCOO]- 261.06293 167.2
[M+CH3COO]- 275.07858 183.1
[M+Na-2H]- 237.03940 152.4
[M]+ 216.06418 139.1
[M]- 216.06528 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