CID 132473017

2-({(1r)-1-[3-(4-methoxyphenoxy)phenyl]ethyl}amino)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(6h)-one

Structural Information

Molecular Formula
C21H21N5O3
SMILES
CC1=NC2=NC(=NN2C(=O)C1)N[C@H](C)C3=CC(=CC=C3)OC4=CC=C(C=C4)OC
InChI
InChI=1S/C21H21N5O3/c1-13-11-19(27)26-21(22-13)24-20(25-26)23-14(2)15-5-4-6-18(12-15)29-17-9-7-16(28-3)8-10-17/h4-10,12,14H,11H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKey
URYYGXLOJAHXGW-CQSZACIVSA-N
Compound name
2-[[(1R)-1-[3-(4-methoxyphenoxy)phenyl]ethyl]amino]-5-methyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.16443 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.17171 194.1
[M+Na]+ 414.15365 208.4
[M+NH4]+ 409.19825 199.6
[M+K]+ 430.12759 203.5
[M-H]- 390.15715 198.2
[M+Na-2H]- 412.13910 201.5
[M]+ 391.16388 197.1
[M]- 391.16498 197.1
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.