CID 385257

Nsc676368

Structural Information

Molecular Formula
C14H21ClN4O2
SMILES
CC(C)C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO
InChI
InChI=1S/C14H21ClN4O2/c1-8(2)9-3-14(4-9,7-21)6-17-12-10(5-20)11(15)18-13(16)19-12/h5,8-9,21H,3-4,6-7H2,1-2H3,(H3,16,17,18,19)
InChIKey
GITWOURAALWBOL-UHFFFAOYSA-N
Compound name
2-amino-4-chloro-6-[[1-(hydroxymethyl)-3-propan-2-ylcyclobutyl]methylamino]pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1353 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14258 175.3
[M+Na]+ 335.12452 181.4
[M-H]- 311.12802 177.3
[M+NH4]+ 330.16912 182.6
[M+K]+ 351.09846 179.6
[M+H-H2O]+ 295.13256 162.6
[M+HCOO]- 357.13350 188.6
[M+CH3COO]- 371.14915 211.5
[M+Na-2H]- 333.10997 175.9
[M]+ 312.13475 184.5
[M]- 312.13585 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.