CID 135565159

Sar-260301

Structural Information

Molecular Formula
C19H22N4O3
SMILES
C[C@H]1CC2=CC=CC=C2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4
InChI
InChI=1S/C19H22N4O3/c1-13-10-14-4-2-3-5-15(14)23(13)19(25)11-16-20-17(12-18(24)21-16)22-6-8-26-9-7-22/h2-5,12-13H,6-11H2,1H3,(H,20,21,24)/t13-/m0/s1
InChIKey
UAXHPOBBKRWJGA-ZDUSSCGKSA-N
Compound name
2-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-morpholin-4-yl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1556
Patents

354.1692 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 186.0
[M+Na]+ 377.15842 192.2
[M-H]- 353.16192 190.1
[M+NH4]+ 372.20302 193.4
[M+K]+ 393.13236 187.1
[M+H-H2O]+ 337.16646 174.6
[M+HCOO]- 399.16740 196.7
[M+CH3COO]- 413.18305 193.8
[M+Na-2H]- 375.14387 185.4
[M]+ 354.16865 182.4
[M]- 354.16975 182.4
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

patents stripe