CID 108723

55477-34-4

Structural Information

Molecular Formula
C12H18ClN5O
SMILES
CC1=C(N=C(N=C1Cl)NC(=O)C)N2CCN(CC2)C
InChI
InChI=1S/C12H18ClN5O/c1-8-10(13)15-12(14-9(2)19)16-11(8)18-6-4-17(3)5-7-18/h4-7H2,1-3H3,(H,14,15,16,19)
InChIKey
PPXIIWYEVFSUCR-UHFFFAOYSA-N
Compound name
N-[4-chloro-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.12 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12728 167.2
[M+Na]+ 306.10922 175.2
[M-H]- 282.11272 168.2
[M+NH4]+ 301.15382 178.4
[M+K]+ 322.08316 170.2
[M+H-H2O]+ 266.11726 157.4
[M+HCOO]- 328.11820 178.1
[M+CH3COO]- 342.13385 202.9
[M+Na-2H]- 304.09467 169.1
[M]+ 283.11945 166.0
[M]- 283.12055 166.0
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