CID 63999

Brn 4338189

Structural Information

Molecular Formula
C20H19N5O2S2
SMILES
CC1=NC2=CC=CC=C2C(=O)N1C3=NN=C(S3)SCC(CNC4=CC=CC=C4)O
InChI
InChI=1S/C20H19N5O2S2/c1-13-22-17-10-6-5-9-16(17)18(27)25(13)19-23-24-20(29-19)28-12-15(26)11-21-14-7-3-2-4-8-14/h2-10,15,21,26H,11-12H2,1H3
InChIKey
XYDXPGDNFPDJKD-UHFFFAOYSA-N
Compound name
3-[5-(3-anilino-2-hydroxypropyl)sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.09802 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.10530 192.1
[M+Na]+ 448.08724 207.0
[M+NH4]+ 443.13184 198.8
[M+K]+ 464.06118 197.6
[M-H]- 424.09074 197.0
[M+Na-2H]- 446.07269 200.7
[M]+ 425.09747 196.6
[M]- 425.09857 196.6
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.