CID 361012

Nsc623745

Structural Information

Molecular Formula
C20H17FN2O3S
SMILES
CC(C)C1=C2C(=CC=C1)SC(=N2)NC(=O)C(=O)CC(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H17FN2O3S/c1-11(2)14-4-3-5-17-18(14)22-20(27-17)23-19(26)16(25)10-15(24)12-6-8-13(21)9-7-12/h3-9,11H,10H2,1-2H3,(H,22,23,26)
InChIKey
VVCAAYKFKODWQD-UHFFFAOYSA-N
Compound name
4-(4-fluorophenyl)-2,4-dioxo-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0944 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.10168 189.1
[M+Na]+ 407.08362 196.5
[M-H]- 383.08712 194.6
[M+NH4]+ 402.12822 202.1
[M+K]+ 423.05756 191.6
[M+H-H2O]+ 367.09166 180.4
[M+HCOO]- 429.09260 204.0
[M+CH3COO]- 443.10825 221.0
[M+Na-2H]- 405.06907 186.8
[M]+ 384.09385 193.4
[M]- 384.09495 193.4
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.