CID 3009056

2(3h)-benzoxazolone, 3-[(4,5-dihydro-2-thiazolyl)methyl]-6-(4-methoxybenzoyl)-

Structural Information

Molecular Formula
C19H16N2O4S
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC4=NCCS4
InChI
InChI=1S/C19H16N2O4S/c1-24-14-5-2-12(3-6-14)18(22)13-4-7-15-16(10-13)25-19(23)21(15)11-17-20-8-9-26-17/h2-7,10H,8-9,11H2,1H3
InChIKey
FLAKMAAONLJENS-UHFFFAOYSA-N
Compound name
3-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-6-(4-methoxybenzoyl)-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.08307 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09035 184.3
[M+Na]+ 391.07229 195.4
[M-H]- 367.07579 195.0
[M+NH4]+ 386.11689 198.0
[M+K]+ 407.04623 191.9
[M+H-H2O]+ 351.08033 177.1
[M+HCOO]- 413.08127 201.9
[M+CH3COO]- 427.09692 196.4
[M+Na-2H]- 389.05774 183.4
[M]+ 368.08252 192.4
[M]- 368.08362 192.4
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.