CID 9575101

Nsc709089

Structural Information

Molecular Formula
C14H11N5S
SMILES
C1=CC=C2C(=C1)C=C(S2)/C=N/N=C(/C3=NC=CN=C3)\N
InChI
InChI=1S/C14H11N5S/c15-14(12-9-16-5-6-17-12)19-18-8-11-7-10-3-1-2-4-13(10)20-11/h1-9H,(H2,15,19)/b18-8+
InChIKey
VHBBABWHQDVYQH-QGMBQPNBSA-N
Compound name
N'-[(E)-1-benzothiophen-2-ylmethylideneamino]pyrazine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.07352 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08080 159.4
[M+Na]+ 304.06274 169.0
[M-H]- 280.06624 167.4
[M+NH4]+ 299.10734 176.3
[M+K]+ 320.03668 163.6
[M+H-H2O]+ 264.07078 150.3
[M+HCOO]- 326.07172 183.2
[M+CH3COO]- 340.08737 172.1
[M+Na-2H]- 302.04819 166.3
[M]+ 281.07297 162.0
[M]- 281.07407 162.0
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.