CID 3058242

Brn 1046838

Structural Information

Molecular Formula
C21H19N5O2S
SMILES
C1COCCN1CC2=NN=C(S2)N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C21H19N5O2S/c27-20-16-8-4-5-9-17(16)22-19(15-6-2-1-3-7-15)26(20)21-24-23-18(29-21)14-25-10-12-28-13-11-25/h1-9H,10-14H2
InChIKey
KITCRPIGRQMIAW-UHFFFAOYSA-N
Compound name
3-[5-(morpholin-4-ylmethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12595 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13323 191.6
[M+Na]+ 428.11517 209.5
[M+NH4]+ 423.15977 198.8
[M+K]+ 444.08911 200.9
[M-H]- 404.11867 199.3
[M+Na-2H]- 426.10062 201.7
[M]+ 405.12540 197.0
[M]- 405.12650 197.0
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.