CID 135491502

Chembl194402

Structural Information

Molecular Formula
C22H24N4O
SMILES
CC1=CC=C(C=C1)C2=CC(=NC(=N2)N3CCN(CC3)C)C4=CC=C(C=C4)O
InChI
InChI=1S/C22H24N4O/c1-16-3-5-17(6-4-16)20-15-21(18-7-9-19(27)10-8-18)24-22(23-20)26-13-11-25(2)12-14-26/h3-10,15,27H,11-14H2,1-2H3
InChIKey
NGQZSRWPHUHNGB-UHFFFAOYSA-N
Compound name
4-[6-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.195 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20228 193.1
[M+Na]+ 383.18422 199.6
[M-H]- 359.18772 198.4
[M+NH4]+ 378.22882 198.6
[M+K]+ 399.15816 191.4
[M+H-H2O]+ 343.19226 179.4
[M+HCOO]- 405.19320 205.6
[M+CH3COO]- 419.20885 200.3
[M+Na-2H]- 381.16967 194.2
[M]+ 360.19445 188.3
[M]- 360.19555 188.4
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.