CID 3119580

5-nitro-2,4,6-triaminopyrimidine

Structural Information

Molecular Formula
C4H6N6O2
SMILES
C1(=C(N=C(N=C1N)N)N)[N+](=O)[O-]
InChI
InChI=1S/C4H6N6O2/c5-2-1(10(11)12)3(6)9-4(7)8-2/h(H6,5,6,7,8,9)
InChIKey
IFMCROIMZMUGRF-UHFFFAOYSA-N
Compound name
5-nitropyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

170.05522 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06250 127.6
[M+Na]+ 193.04444 138.0
[M+NH4]+ 188.08904 133.7
[M+K]+ 209.01838 137.9
[M-H]- 169.04794 130.2
[M+Na-2H]- 191.02989 132.6
[M]+ 170.05467 129.2
[M]- 170.05577 129.2
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