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 161.2
[M+Na]+ 284.08282 169.4
[M-H]- 260.08632 169.3
[M+NH4]+ 279.12742 181.0
[M+K]+ 300.05676 166.5
[M+H-H2O]+ 244.09086 153.6
[M+HCOO]- 306.09180 184.6
[M+CH3COO]- 320.10745 199.4
[M+Na-2H]- 282.06827 161.2
[M]+ 261.09305 165.5
[M]- 261.09415 165.5
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.