CID 508521

N,n-dimethyl-4-phenyl-5-[phenyl(1,2,4-triazol-1-yl)methyl]pyrimidin-2-amine

Structural Information

Molecular Formula
C21H20N6
SMILES
CN(C)C1=NC=C(C(=N1)C2=CC=CC=C2)C(C3=CC=CC=C3)N4C=NC=N4
InChI
InChI=1S/C21H20N6/c1-26(2)21-23-13-18(19(25-21)16-9-5-3-6-10-16)20(27-15-22-14-24-27)17-11-7-4-8-12-17/h3-15,20H,1-2H3
InChIKey
ZIUVRQVYQLMYSH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-phenyl-5-[phenyl(1,2,4-triazol-1-yl)methyl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.17496 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18224 184.6
[M+Na]+ 379.16418 191.2
[M-H]- 355.16768 192.1
[M+NH4]+ 374.20878 191.3
[M+K]+ 395.13812 184.7
[M+H-H2O]+ 339.17222 170.6
[M+HCOO]- 401.17316 203.3
[M+CH3COO]- 415.18881 193.5
[M+Na-2H]- 377.14963 188.5
[M]+ 356.17441 184.6
[M]- 356.17551 184.6
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

No patent data available for this compound.