CID 2907600

1-[3-(dimethylamino)propyl]-3-hydroxy-5-(2-thienyl)-4-(2-thienylcarbonyl)-3-py rrolin-2-one

Structural Information

Molecular Formula
C18H20N2O3S2
SMILES
CN(C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=CS3
InChI
InChI=1S/C18H20N2O3S2/c1-19(2)8-5-9-20-15(12-6-3-10-24-12)14(17(22)18(20)23)16(21)13-7-4-11-25-13/h3-4,6-7,10-11,15,22H,5,8-9H2,1-2H3
InChIKey
UPMXZKWLZAWDRK-UHFFFAOYSA-N
Compound name
1-[3-(dimethylamino)propyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

376.09152 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09880 190.4
[M+Na]+ 399.08074 199.6
[M-H]- 375.08424 200.9
[M+NH4]+ 394.12534 207.6
[M+K]+ 415.05468 195.6
[M+H-H2O]+ 359.08878 185.1
[M+HCOO]- 421.08972 205.8
[M+CH3COO]- 435.10537 216.2
[M+Na-2H]- 397.06619 183.4
[M]+ 376.09097 198.2
[M]- 376.09207 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.