CID 134761

2,4-diamino-5-phenylpyrimidine

Structural Information

Molecular Formula
C10H10N4
SMILES
C1=CC=C(C=C1)C2=CN=C(N=C2N)N
InChI
InChI=1S/C10H10N4/c11-9-8(6-13-10(12)14-9)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)
InChIKey
FUVWRUJASRBHEK-UHFFFAOYSA-N
Compound name
5-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

198
Patents

186.09055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.097826 139.4
[M+Na]+ 209.079768 148.2
[M-H]- 185.083274 143.2
[M+NH4]+ 204.124373 155.5
[M+K]+ 225.053708 143.8
[M+H-H2O]+ 169.087810 130.9
[M+HCOO]- 231.088751 163.4
[M+CH3COO]- 245.104401 152.1
[M+Na-2H]- 207.065216 147.2
[M]+ 186.09000142 135.6
[M]- 186.09109858 135.6
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