CID 63837

Brn 1041409

Structural Information

Molecular Formula
C19H15N3O3S
SMILES
COC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2C4=NC=CS4
InChI
InChI=1S/C19H15N3O3S/c1-24-15-8-4-5-9-16(15)25-12-17-21-14-7-3-2-6-13(14)18(23)22(17)19-20-10-11-26-19/h2-11H,12H2,1H3
InChIKey
SGKACQODXPBQFW-UHFFFAOYSA-N
Compound name
2-[(2-methoxyphenoxy)methyl]-3-(1,3-thiazol-2-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.0834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09068 183.8
[M+Na]+ 388.07262 196.0
[M-H]- 364.07612 192.1
[M+NH4]+ 383.11722 195.7
[M+K]+ 404.04656 189.6
[M+H-H2O]+ 348.08066 174.0
[M+HCOO]- 410.08160 201.8
[M+CH3COO]- 424.09725 195.3
[M+Na-2H]- 386.05807 187.1
[M]+ 365.08285 191.7
[M]- 365.08395 191.7
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.