CID 5395305

307509-97-3

Structural Information

Molecular Formula
C13H15N3OS
SMILES
C/C(=N\NC(=O)CC1=CC=CN1C)/C2=CC=CS2
InChI
InChI=1S/C13H15N3OS/c1-10(12-6-4-8-18-12)14-15-13(17)9-11-5-3-7-16(11)2/h3-8H,9H2,1-2H3,(H,15,17)/b14-10+
InChIKey
IEOUVHDNYATRKM-GXDHUFHOSA-N
Compound name
2-(1-methylpyrrol-2-yl)-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

261.0936 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.10088 160.9
[M+Na]+ 284.08282 170.2
[M+NH4]+ 279.12742 168.5
[M+K]+ 300.05676 166.0
[M-H]- 260.08632 164.3
[M+Na-2H]- 282.06827 167.1
[M]+ 261.09305 163.3
[M]- 261.09415 163.3
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.