CID 16683207

Nsc643863

Structural Information

Molecular Formula
C18H26N6O4Sn
SMILES
CCCC[Sn](CCCC)(OC(=O)C1=NC=CN=C1N)OC(=O)C2=NC=CN=C2N
InChI
InChI=1S/2C5H5N3O2.2C4H9.Sn/c2*6-4-3(5(9)10)7-1-2-8-4;2*1-3-4-2;/h2*1-2H,(H2,6,8)(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKey
SQZIOUNIRRFYJM-UHFFFAOYSA-L
Compound name
[(3-aminopyrazine-2-carbonyl)oxy-dibutylstannyl] 3-aminopyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.10376 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.11104 217.8
[M+Na]+ 533.09298 221.2
[M-H]- 509.09648 217.2
[M+NH4]+ 528.13758 220.5
[M+K]+ 549.06692 217.0
[M+H-H2O]+ 493.10102 205.2
[M+HCOO]- 555.10196 232.2
[M+CH3COO]- 569.11761 230.8
[M+Na-2H]- 531.07843 218.3
[M]+ 510.10321 220.1
[M]- 510.10431 220.1
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.