CID 483132

7-(2-dimethylamino-4-thiazolyl)-1-ethyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H17N3O3S
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)N(C)C)C(=O)O
InChI
InChI=1S/C17H17N3O3S/c1-4-20-8-12(16(22)23)15(21)11-6-5-10(7-14(11)20)13-9-24-17(18-13)19(2)3/h5-9H,4H2,1-3H3,(H,22,23)
InChIKey
VPRDAAGRTGLMGN-UHFFFAOYSA-N
Compound name
7-[2-(dimethylamino)-1,3-thiazol-4-yl]-1-ethyl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.09906 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.10634 178.2
[M+Na]+ 366.08828 189.2
[M-H]- 342.09178 185.1
[M+NH4]+ 361.13288 192.6
[M+K]+ 382.06222 184.5
[M+H-H2O]+ 326.09632 170.4
[M+HCOO]- 388.09726 195.8
[M+CH3COO]- 402.11291 214.5
[M+Na-2H]- 364.07373 178.6
[M]+ 343.09851 185.8
[M]- 343.09961 185.8
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.