CID 3069751

85099-82-7

Structural Information

Molecular Formula
C21H18N4O3S
SMILES
CC1=CC=CC=C1OCC2=NC3=CC=CC=C3C(=O)N2CC(=O)NC4=NC=CS4
InChI
InChI=1S/C21H18N4O3S/c1-14-6-2-5-9-17(14)28-13-18-23-16-8-4-3-7-15(16)20(27)25(18)12-19(26)24-21-22-10-11-29-21/h2-11H,12-13H2,1H3,(H,22,24,26)
InChIKey
MORRNAPROAESDM-UHFFFAOYSA-N
Compound name
2-[2-[(2-methylphenoxy)methyl]-4-oxoquinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.10995 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11723 194.6
[M+Na]+ 429.09917 204.7
[M-H]- 405.10267 202.5
[M+NH4]+ 424.14377 204.2
[M+K]+ 445.07311 197.8
[M+H-H2O]+ 389.10721 184.4
[M+HCOO]- 451.10815 211.9
[M+CH3COO]- 465.12380 204.5
[M+Na-2H]- 427.08462 197.1
[M]+ 406.10940 201.1
[M]- 406.11050 201.1
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.