CID 385230

Nsc676343

Structural Information

Molecular Formula
C13H21ClN4O
SMILES
CC(C)C1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO
InChI
InChI=1S/C13H21ClN4O/c1-8(2)9-4-13(5-9,7-19)6-16-11-3-10(14)17-12(15)18-11/h3,8-9,19H,4-7H2,1-2H3,(H3,15,16,17,18)
InChIKey
AXPSLTILUXOOEE-UHFFFAOYSA-N
Compound name
[1-[[(2-amino-6-chloropyrimidin-4-yl)amino]methyl]-3-propan-2-ylcyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.14038 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14766 168.8
[M+Na]+ 307.12960 174.5
[M-H]- 283.13310 170.6
[M+NH4]+ 302.17420 177.1
[M+K]+ 323.10354 172.8
[M+H-H2O]+ 267.13764 156.1
[M+HCOO]- 329.13858 182.1
[M+CH3COO]- 343.15423 206.0
[M+Na-2H]- 305.11505 170.6
[M]+ 284.13983 176.6
[M]- 284.14093 176.6
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.