CID 5468789

Nsc676372

Structural Information

Molecular Formula
C11H16ClN5O2
SMILES
C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)/C=N/O)CO
InChI
InChI=1S/C11H16ClN5O2/c12-8-7(4-15-19)9(17-10(13)16-8)14-5-11(6-18)2-1-3-11/h4,18-19H,1-3,5-6H2,(H3,13,14,16,17)/b15-4+
InChIKey
UXBBHBPPLDBNCB-SYZQJQIISA-N
Compound name
[1-[[[2-amino-6-chloro-5-[(E)-hydroxyiminomethyl]pyrimidin-4-yl]amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.09924 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10652 164.4
[M+Na]+ 308.08846 170.2
[M-H]- 284.09196 166.3
[M+NH4]+ 303.13306 172.1
[M+K]+ 324.06240 168.7
[M+H-H2O]+ 268.09650 151.2
[M+HCOO]- 330.09744 180.6
[M+CH3COO]- 344.11309 205.3
[M+Na-2H]- 306.07391 168.9
[M]+ 285.09869 171.9
[M]- 285.09979 171.9
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.