CID 112182

Dtxsid70887527

Structural Information

Molecular Formula
C24H32N4O4S
SMILES
CC1CCC2=C(N1CCO)C=C(C(=C2)N=NC3=C(C=C(S3)C(=O)C(C)C)C(=O)NCCO)C
InChI
InChI=1S/C24H32N4O4S/c1-14(2)22(31)21-13-18(23(32)25-7-9-29)24(33-21)27-26-19-12-17-6-5-16(4)28(8-10-30)20(17)11-15(19)3/h11-14,16,29-30H,5-10H2,1-4H3,(H,25,32)
InChIKey
KQAUNQNGHMDXHS-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-[[1-(2-hydroxyethyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-5-(2-methylpropanoyl)thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.21442 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.22170 214.0
[M+Na]+ 495.20364 217.0
[M-H]- 471.20714 219.4
[M+NH4]+ 490.24824 223.1
[M+K]+ 511.17758 213.0
[M+H-H2O]+ 455.21168 205.5
[M+HCOO]- 517.21262 227.2
[M+CH3COO]- 531.22827 246.4
[M+Na-2H]- 493.18909 209.3
[M]+ 472.21387 218.1
[M]- 472.21497 218.1
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.