CID 10686149

2-(2-methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine

Structural Information

Molecular Formula
C16H13N5O2
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NC=CC(=N2)C3=CN=CC=C3
InChI
InChI=1S/C16H13N5O2/c1-11-4-5-13(21(22)23)9-15(11)20-16-18-8-6-14(19-16)12-3-2-7-17-10-12/h2-10H,1H3,(H,18,19,20)
InChIKey
OJITWRFPRCHSMX-UHFFFAOYSA-N
Compound name
N-(2-methyl-5-nitrophenyl)-4-pyridin-3-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

307.10693 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11421 168.6
[M+Na]+ 330.09615 175.3
[M-H]- 306.09965 174.8
[M+NH4]+ 325.14075 177.4
[M+K]+ 346.07009 165.6
[M+H-H2O]+ 290.10419 161.4
[M+HCOO]- 352.10513 191.3
[M+CH3COO]- 366.12078 202.0
[M+Na-2H]- 328.08160 178.5
[M]+ 307.10638 166.0
[M]- 307.10748 166.0
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

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