CID 57104

Brn 5645241

Structural Information

Molecular Formula
C17H19N5O3S
SMILES
CC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCOCC4
InChI
InChI=1S/C17H19N5O3S/c1-12-18-14-5-3-2-4-13(14)16(19-12)24-10-15-20-22(17(26)25-15)11-21-6-8-23-9-7-21/h2-5H,6-11H2,1H3
InChIKey
LLNZURBKMDIUIN-UHFFFAOYSA-N
Compound name
5-[(2-methylquinazolin-4-yl)oxymethyl]-3-(morpholin-4-ylmethyl)-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.12085 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.12813 186.5
[M+Na]+ 396.11007 197.2
[M-H]- 372.11357 192.4
[M+NH4]+ 391.15467 192.6
[M+K]+ 412.08401 193.0
[M+H-H2O]+ 356.11811 176.1
[M+HCOO]- 418.11905 196.6
[M+CH3COO]- 432.13470 195.9
[M+Na-2H]- 394.09552 187.5
[M]+ 373.12030 191.4
[M]- 373.12140 191.4
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

No patent data available for this compound.