CID 53385563

5748-33-4

Structural Information

Molecular Formula

C₇H₁₀ClN₃

SMILES

CCNC1=NC(=CC(=N1)Cl)C

InChI

InChI=1S/C7H10ClN3/c1-3-9-7-10-5(2)4-6(8)11-7/h4H,3H2,1-2H3,(H,9,10,11)

InChIKey

DDUVDNODUDMZLU-UHFFFAOYSA-N

Compound name

4-chloro-N-ethyl-6-methylpyrimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 171.05632 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.063596	133.8
[M+Na]+	194.045538	143.8
[M-H]-	170.049044	135.0
[M+NH4]+	189.090143	152.6
[M+K]+	210.019478	140.2
[M+H-H2O]+	154.053580	127.3
[M+HCOO]-	216.054521	152.7
[M+CH3COO]-	230.070171	181.6
[M+Na-2H]-	192.030986	141.5
[M]+	171.05577142	135.8
[M]-	171.05686858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe