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

35
Patents

186.09055 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.097826 138.1
[M+Na]+ 209.079768 145.8
[M-H]- 185.083274 141.9
[M+NH4]+ 204.124373 154.1
[M+K]+ 225.053708 141.8
[M+H-H2O]+ 169.087810 129.3
[M+HCOO]- 231.088751 162.7
[M+CH3COO]- 245.104401 150.7
[M+Na-2H]- 207.065216 147.8
[M]+ 186.09000142 134.8
[M]- 186.09109858 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