CID 468656

Mls000049025

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CC1=CC=C(N1NC(=O)C2=CC=CS2)C
InChI
InChI=1S/C11H12N2OS/c1-8-5-6-9(2)13(8)12-11(14)10-4-3-7-15-10/h3-7H,1-2H3,(H,12,14)
InChIKey
YHRPLDJZBVUBBP-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

220.06703 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 148.1
[M+Na]+ 243.05625 158.7
[M-H]- 219.05975 155.4
[M+NH4]+ 238.10085 169.7
[M+K]+ 259.03019 155.5
[M+H-H2O]+ 203.06429 141.9
[M+HCOO]- 265.06523 170.6
[M+CH3COO]- 279.08088 187.8
[M+Na-2H]- 241.04170 148.4
[M]+ 220.06648 152.4
[M]- 220.06758 152.4
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.