CID 3068565

Dtxsid101003547

Structural Information

Molecular Formula
C12H18N10O2
SMILES
C1CN(CCN1C2=NC(=N)N(C(=C2)N)O)C3=NC(=N)N(C(=C3)N)O
InChI
InChI=1S/C12H18N10O2/c13-7-5-9(17-11(15)21(7)23)19-1-2-20(4-3-19)10-6-8(14)22(24)12(16)18-10/h5-6,15-16,23-24H,1-4,13-14H2
InChIKey
VEZVUJRHJYNWOL-UHFFFAOYSA-N
Compound name
6-[4-(6-amino-1-hydroxy-2-iminopyrimidin-4-yl)piperazin-1-yl]-3-hydroxy-2-iminopyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1614 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16868 184.4
[M+Na]+ 357.15062 193.1
[M-H]- 333.15412 185.0
[M+NH4]+ 352.19522 187.5
[M+K]+ 373.12456 185.3
[M+H-H2O]+ 317.15866 173.3
[M+HCOO]- 379.15960 198.9
[M+CH3COO]- 393.17525 191.1
[M+Na-2H]- 355.13607 187.6
[M]+ 334.16085 175.7
[M]- 334.16195 175.7
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.