CID 10523972

2,4-bis[4-(4,5-dihydro-1h-imidazol-2-yl)phenyl]-6-methyl-pyrimidine

Structural Information

Molecular Formula
C23H22N6
SMILES
CC1=CC(=NC(=N1)C2=CC=C(C=C2)C3=NCCN3)C4=CC=C(C=C4)C5=NCCN5
InChI
InChI=1S/C23H22N6/c1-15-14-20(16-2-4-17(5-3-16)21-24-10-11-25-21)29-23(28-15)19-8-6-18(7-9-19)22-26-12-13-27-22/h2-9,14H,10-13H2,1H3,(H,24,25)(H,26,27)
InChIKey
BKISIJBERMFIFX-UHFFFAOYSA-N
Compound name
2,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-methylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.19058 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19786 191.2
[M+Na]+ 405.17980 198.1
[M-H]- 381.18330 197.3
[M+NH4]+ 400.22440 195.8
[M+K]+ 421.15374 188.1
[M+H-H2O]+ 365.18784 177.6
[M+HCOO]- 427.18878 203.7
[M+CH3COO]- 441.20443 198.1
[M+Na-2H]- 403.16525 189.2
[M]+ 382.19003 185.5
[M]- 382.19113 185.5
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

No patent data available for this compound.