CID 50989506

2,4-diaminoguanidinopyrimidine sulfate

Structural Information

Molecular Formula
C6H12N10
SMILES
C1=CN=C(N=C1N=C(N)NN)/N=C(\N)/NN
InChI
InChI=1S/C6H12N10/c7-4(15-9)12-3-1-2-11-6(13-3)14-5(8)16-10/h1-2H,9-10H2,(H6,7,8,11,12,13,14,15,16)
InChIKey
KHHNNWPPZNMDPL-UHFFFAOYSA-N
Compound name
1-amino-2-[2-[(E)-[amino(hydrazinyl)methylidene]amino]pyrimidin-4-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12463 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13191 141.8
[M+Na]+ 247.11385 146.3
[M-H]- 223.11735 144.8
[M+NH4]+ 242.15845 155.1
[M+K]+ 263.08779 145.9
[M+H-H2O]+ 207.12189 131.7
[M+HCOO]- 269.12283 171.7
[M+CH3COO]- 283.13848 211.3
[M+Na-2H]- 245.09930 149.2
[M]+ 224.12408 133.4
[M]- 224.12518 133.4
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.