CID 385265

Nsc676376

Structural Information

Molecular Formula
C12H17ClN4O2
SMILES
CC(=O)NC1=NC(=CC(=N1)Cl)NCC2(CCC2)CO
InChI
InChI=1S/C12H17ClN4O2/c1-8(19)15-11-16-9(13)5-10(17-11)14-6-12(7-18)3-2-4-12/h5,18H,2-4,6-7H2,1H3,(H2,14,15,16,17,19)
InChIKey
CQCQQYVCMCLSOO-UHFFFAOYSA-N
Compound name
N-[4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.104 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.111276 164.0
[M+Na]+ 307.093218 169.3
[M-H]- 283.096724 166.1
[M+NH4]+ 302.137823 172.1
[M+K]+ 323.067158 168.2
[M+H-H2O]+ 267.101260 151.1
[M+HCOO]- 329.102201 178.7
[M+CH3COO]- 343.117851 203.1
[M+Na-2H]- 305.078666 168.3
[M]+ 284.10345142 172.7
[M]- 284.10454858 172.7
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.