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]+ 285.11128 164.0
[M+Na]+ 307.09322 169.3
[M-H]- 283.09672 166.1
[M+NH4]+ 302.13782 172.1
[M+K]+ 323.06716 168.2
[M+H-H2O]+ 267.10126 151.1
[M+HCOO]- 329.10220 178.7
[M+CH3COO]- 343.11785 203.1
[M+Na-2H]- 305.07867 168.3
[M]+ 284.10345 172.7
[M]- 284.10455 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.