CID 86296

Mepanipyrim

Structural Information

Molecular Formula
C14H13N3
SMILES
CC#CC1=NC(=NC(=C1)C)NC2=CC=CC=C2
InChI
InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
InChIKey
CIFWZNRJIBNXRE-UHFFFAOYSA-N
Compound name
4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

44
References

34026
Patents

223.11095 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.11823 152.2
[M+Na]+ 246.10017 162.1
[M-H]- 222.10367 153.3
[M+NH4]+ 241.14477 165.2
[M+K]+ 262.07411 155.7
[M+H-H2O]+ 206.10821 136.9
[M+HCOO]- 268.10915 168.7
[M+CH3COO]- 282.12480 162.1
[M+Na-2H]- 244.08562 157.6
[M]+ 223.11040 145.6
[M]- 223.11150 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe