CID 112189

70085-02-8

Structural Information

Molecular Formula
C23H29N3O4S
SMILES
CC1CCC2=C(N1CCO)C=C(C(=C2)N=NC3=C(C=C(S3)C(=O)C(C)C)C(=O)OC)C
InChI
InChI=1S/C23H29N3O4S/c1-13(2)21(28)20-12-17(23(29)30-5)22(31-20)25-24-18-11-16-7-6-15(4)26(8-9-27)19(16)10-14(18)3/h10-13,15,27H,6-9H2,1-5H3
InChIKey
RUWCXVKHFMTLPL-UHFFFAOYSA-N
Compound name
methyl 2-[[1-(2-hydroxyethyl)-2,7-dimethyl-3,4-dihydro-2H-quinolin-6-yl]diazenyl]-5-(2-methylpropanoyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.18787 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19515 207.1
[M+Na]+ 466.17709 215.6
[M+NH4]+ 461.22169 212.3
[M+K]+ 482.15103 210.3
[M-H]- 442.18059 209.9
[M+Na-2H]- 464.16254 209.2
[M]+ 443.18732 209.2
[M]- 443.18842 209.2
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.