CID 129318504

2602451-77-2

Structural Information

Molecular Formula
C16H26N2O3S
SMILES
CCCN(CCC)C(C)C(=O)NC1=C(SC=C1C)C(=O)OC
InChI
InChI=1S/C16H26N2O3S/c1-6-8-18(9-7-2)12(4)15(19)17-13-11(3)10-22-14(13)16(20)21-5/h10,12H,6-9H2,1-5H3,(H,17,19)
InChIKey
UQVRTCXVHWQVFF-UHFFFAOYSA-N
Compound name
methyl 3-[2-(dipropylamino)propanoylamino]-4-methylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1664 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17368 181.1
[M+Na]+ 349.15562 186.7
[M+NH4]+ 344.20022 186.5
[M+K]+ 365.12956 182.8
[M-H]- 325.15912 181.4
[M+Na-2H]- 347.14107 182.0
[M]+ 326.16585 181.9
[M]- 326.16695 181.9
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.