CID 57100

Brn 5655295

Structural Information

Molecular Formula
C19H23N5O3S
SMILES
CCCC1=NC2=CC=CC=C2C(=N1)OCC3=NN(C(=S)O3)CN4CCOCC4
InChI
InChI=1S/C19H23N5O3S/c1-2-5-16-20-15-7-4-3-6-14(15)18(21-16)26-12-17-22-24(19(28)27-17)13-23-8-10-25-11-9-23/h3-4,6-7H,2,5,8-13H2,1H3
InChIKey
MAGXSAMLLDMNOT-UHFFFAOYSA-N
Compound name
3-(morpholin-4-ylmethyl)-5-[(2-propylquinazolin-4-yl)oxymethyl]-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.15216 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.15944 194.7
[M+Na]+ 424.14138 204.5
[M-H]- 400.14488 200.3
[M+NH4]+ 419.18598 199.7
[M+K]+ 440.11532 199.8
[M+H-H2O]+ 384.14942 183.9
[M+HCOO]- 446.15036 204.2
[M+CH3COO]- 460.16601 203.2
[M+Na-2H]- 422.12683 194.8
[M]+ 401.15161 200.2
[M]- 401.15271 200.2
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

No patent data available for this compound.