CID 9570925

Brn 0434538

Structural Information

Molecular Formula
C17H21N3OS
SMILES
CCCCCC/C(=N\NC(=O)C1=CN=CC=C1)/C2=CC=CS2
InChI
InChI=1S/C17H21N3OS/c1-2-3-4-5-9-15(16-10-7-12-22-16)19-20-17(21)14-8-6-11-18-13-14/h6-8,10-13H,2-5,9H2,1H3,(H,20,21)/b19-15+
InChIKey
CSYPCPMWBSMJDM-XDJHFCHBSA-N
Compound name
N-[(E)-1-thiophen-2-ylheptylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.14053 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14781 176.1
[M+Na]+ 338.12975 180.6
[M-H]- 314.13325 182.2
[M+NH4]+ 333.17435 191.3
[M+K]+ 354.10369 176.3
[M+H-H2O]+ 298.13779 166.9
[M+HCOO]- 360.13873 196.0
[M+CH3COO]- 374.15438 210.2
[M+Na-2H]- 336.11520 176.5
[M]+ 315.13998 178.9
[M]- 315.14108 178.9
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.