CID 148506

Pyrimidine-2,4,5-triamine

Structural Information

Molecular Formula
C4H7N5
SMILES
C1=C(C(=NC(=N1)N)N)N
InChI
InChI=1S/C4H7N5/c5-2-1-8-4(7)9-3(2)6/h1H,5H2,(H4,6,7,8,9)
InChIKey
CSNFMBGHUOSBFU-UHFFFAOYSA-N
Compound name
pyrimidine-2,4,5-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8634
Patents

125.070145 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.07742 123.0
[M+Na]+ 148.05936 132.1
[M-H]- 124.06287 123.7
[M+NH4]+ 143.10397 141.4
[M+K]+ 164.03330 129.8
[M+H-H2O]+ 108.06740 115.9
[M+HCOO]- 170.06835 147.8
[M+CH3COO]- 184.08400 176.9
[M+Na-2H]- 146.04481 130.4
[M]+ 125.06960 117.8
[M]- 125.07069 117.8
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