CID 66764813

1360550-04-4

Structural Information

Molecular Formula
C24H26N8O2
SMILES
C[C@@](C1CC1)(C2=CC=C(C=C2)C3=CN=C(N=C3)N)C4=NOC(=N4)C5=CN(N=C5)CC(=O)N(C)C
InChI
InChI=1S/C24H26N8O2/c1-24(19-8-9-19,18-6-4-15(5-7-18)16-10-26-23(25)27-11-16)22-29-21(34-30-22)17-12-28-32(13-17)14-20(33)31(2)3/h4-7,10-13,19H,8-9,14H2,1-3H3,(H2,25,26,27)/t24-/m0/s1
InChIKey
QGPXEIMWTKWHMH-DEOSSOPVSA-N
Compound name
2-[4-[3-[(1R)-1-[4-(2-aminopyrimidin-5-yl)phenyl]-1-cyclopropylethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

15
Patents

458.21786 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.22514 208.6
[M+Na]+ 481.20708 223.3
[M+NH4]+ 476.25168 213.0
[M+K]+ 497.18102 223.4
[M-H]- 457.21058 221.8
[M+Na-2H]- 479.19253 220.1
[M]+ 458.21731 215.5
[M]- 458.21841 215.5
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