CID 35795

1,1'-(5-methylpyrimidine-2,4-diyl)diguanidine

Structural Information

Molecular Formula
C7H12N8
SMILES
CC1=CN=C(N=C1N=C(N)N)N=C(N)N
InChI
InChI=1S/C7H12N8/c1-3-2-12-7(15-6(10)11)14-4(3)13-5(8)9/h2H,1H3,(H8,8,9,10,11,12,13,14,15)
InChIKey
NCRMXGONWCWVSY-UHFFFAOYSA-N
Compound name
2-[2-(diaminomethylideneamino)-5-methylpyrimidin-4-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.1185 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12578 144.7
[M+Na]+ 231.10772 151.1
[M-H]- 207.11122 147.7
[M+NH4]+ 226.15232 159.6
[M+K]+ 247.08166 149.9
[M+H-H2O]+ 191.11576 135.5
[M+HCOO]- 253.11670 172.4
[M+CH3COO]- 267.13235 205.5
[M+Na-2H]- 229.09317 149.4
[M]+ 208.11795 138.4
[M]- 208.11905 138.4
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

No patent data available for this compound.