CID 385255

Nsc676366

Structural Information

Molecular Formula
C11H15ClN4O2
SMILES
C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO
InChI
InChI=1S/C11H15ClN4O2/c12-8-7(4-17)9(16-10(13)15-8)14-5-11(6-18)2-1-3-11/h4,18H,1-3,5-6H2,(H3,13,14,15,16)
InChIKey
VSTJAAPHHYLWBD-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.08835 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09563 159.3
[M+Na]+ 293.07757 166.2
[M-H]- 269.08107 161.4
[M+NH4]+ 288.12217 168.1
[M+K]+ 309.05151 164.5
[M+H-H2O]+ 253.08561 146.8
[M+HCOO]- 315.08655 174.7
[M+CH3COO]- 329.10220 200.7
[M+Na-2H]- 291.06302 163.6
[M]+ 270.08780 167.7
[M]- 270.08890 167.7
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

patents stripe