CID 11643997

N-phenyl-2-pyrimidinamine

Structural Information

Molecular Formula
C10H9N3
SMILES
C1=CC=C(C=C1)NC2=NC=CC=N2
InChI
InChI=1S/C10H9N3/c1-2-5-9(6-3-1)13-10-11-7-4-8-12-10/h1-8H,(H,11,12,13)
InChIKey
XGXNTJHZPBRBHJ-UHFFFAOYSA-N
Compound name
N-phenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

108
References

16822
Patents

171.07965 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.086926 133.9
[M+Na]+ 194.068868 141.5
[M-H]- 170.072374 137.8
[M+NH4]+ 189.113473 150.8
[M+K]+ 210.042808 137.9
[M+H-H2O]+ 154.076910 125.2
[M+HCOO]- 216.077851 158.0
[M+CH3COO]- 230.093501 146.9
[M+Na-2H]- 192.054316 144.9
[M]+ 171.07910142 131.9
[M]- 171.08019858 131.9
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

patents stripe