CID 3401968

4086-61-7

Structural Information

Molecular Formula

C₁₁H₁₄N₄

SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)C)C

InChI

InChI=1S/C11H14N4/c1-7-5-8(2)13-11(12-7)15-10(4)6-9(3)14-15/h5-6H,1-4H3

InChIKey

HZNGLSIEGWQEIB-UHFFFAOYSA-N

Compound name

2-(3,5-dimethylpyrazol-1-yl)-4,6-dimethylpyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 202.12184 Da
Monoisotopic Mass: 2.1
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]+	203.12912	146.0
[M+Na]+	225.11106	157.8
[M-H]-	201.11456	148.6
[M+NH4]+	220.15566	162.4
[M+K]+	241.08500	154.0
[M+H-H2O]+	185.11910	137.0
[M+HCOO]-	247.12004	166.7
[M+CH3COO]-	261.13569	159.2
[M+Na-2H]-	223.09651	149.8
[M]+	202.12129	148.4
[M]-	202.12239	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe