CID 63853

Brn 1035087

Structural Information

Molecular Formula
C19H17N5OS
SMILES
CN(C)CC1=NN=C(S1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C19H17N5OS/c1-23(2)12-16-21-22-19(26-16)24-17(13-8-4-3-5-9-13)20-15-11-7-6-10-14(15)18(24)25/h3-11H,12H2,1-2H3
InChIKey
SIXRAHPXPAJESO-UHFFFAOYSA-N
Compound name
3-[5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-yl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1154 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12268 184.8
[M+Na]+ 386.10462 196.8
[M-H]- 362.10812 193.1
[M+NH4]+ 381.14922 195.9
[M+K]+ 402.07856 189.8
[M+H-H2O]+ 346.11266 174.2
[M+HCOO]- 408.11360 202.5
[M+CH3COO]- 422.12925 195.9
[M+Na-2H]- 384.09007 188.2
[M]+ 363.11485 191.1
[M]- 363.11595 191.1
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.