CID 459821

N2-phenylpyrimidine-2,4-diamine

Structural Information

Molecular Formula
C10H10N4
SMILES
C1=CC=C(C=C1)NC2=NC=CC(=N2)N
InChI
InChI=1S/C10H10N4/c11-9-6-7-12-10(14-9)13-8-4-2-1-3-5-8/h1-7H,(H3,11,12,13,14)
InChIKey
UIPJIUQDINJHJK-UHFFFAOYSA-N
Compound name
2-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

186.09055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09783 138.1
[M+Na]+ 209.07977 145.8
[M-H]- 185.08327 141.9
[M+NH4]+ 204.12437 154.1
[M+K]+ 225.05371 141.8
[M+H-H2O]+ 169.08781 129.3
[M+HCOO]- 231.08875 162.7
[M+CH3COO]- 245.10440 150.7
[M+Na-2H]- 207.06522 147.8
[M]+ 186.09000 134.8
[M]- 186.09110 134.8
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