CID 63545

Brn 1038710

Structural Information

Molecular Formula
C21H21N5OS
SMILES
CCN(CC)CC1=NN=C(S1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H21N5OS/c1-3-25(4-2)14-18-23-24-21(28-18)26-19(15-10-6-5-7-11-15)22-17-13-9-8-12-16(17)20(26)27/h5-13H,3-4,14H2,1-2H3
InChIKey
SPVZFWRMZHJWAG-UHFFFAOYSA-N
Compound name
3-[5-(diethylaminomethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.15395 190.7
[M+Na]+ 414.13589 207.6
[M+NH4]+ 409.18049 198.1
[M+K]+ 430.10983 198.5
[M-H]- 390.13939 196.8
[M+Na-2H]- 412.12134 201.1
[M]+ 391.14612 195.5
[M]- 391.14722 195.5
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.