CID 60138177

Trans-4-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino}cyclohexanol

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=NC(=NC=C3)NC4CCC(CC4)O
InChI
InChI=1S/C20H22N4O2/c1-13-18(19(24-26-13)14-5-3-2-4-6-14)17-11-12-21-20(23-17)22-15-7-9-16(25)10-8-15/h2-6,11-12,15-16,25H,7-10H2,1H3,(H,21,22,23)
InChIKey
HOQWCELNTHTYAP-UHFFFAOYSA-N
Compound name
4-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

350.1743 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 183.8
[M+Na]+ 373.16352 189.5
[M-H]- 349.16702 191.8
[M+NH4]+ 368.20812 191.4
[M+K]+ 389.13746 184.2
[M+H-H2O]+ 333.17156 172.1
[M+HCOO]- 395.17250 200.1
[M+CH3COO]- 409.18815 192.5
[M+Na-2H]- 371.14897 185.2
[M]+ 350.17375 180.2
[M]- 350.17485 180.2
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

patents stripe