CID 6479748

1h-indole-5-carboximidamide, 2-[(e)-2-[5-(aminoiminomethyl)benzo[b]thien-2-yl]ethenyl]-

Structural Information

Molecular Formula
C20H17N5S
SMILES
C1=CC2=C(C=C1C(=N)N)C=C(N2)/C=C/C3=CC4=C(S3)C=CC(=C4)C(=N)N
InChI
InChI=1S/C20H17N5S/c21-19(22)11-1-5-17-13(7-11)9-15(25-17)3-4-16-10-14-8-12(20(23)24)2-6-18(14)26-16/h1-10,25H,(H3,21,22)(H3,23,24)/b4-3+
InChIKey
ARCPGTWKYFEGSG-ONEGZZNKSA-N
Compound name
2-[(E)-2-(5-carbamimidoyl-1-benzothiophen-2-yl)ethenyl]-1H-indole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.12045 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12773 180.2
[M+Na]+ 382.10967 189.3
[M-H]- 358.11317 187.1
[M+NH4]+ 377.15427 195.9
[M+K]+ 398.08361 180.8
[M+H-H2O]+ 342.11771 173.8
[M+HCOO]- 404.11865 200.2
[M+CH3COO]- 418.13430 190.6
[M+Na-2H]- 380.09512 181.9
[M]+ 359.11990 179.3
[M]- 359.12100 179.3
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.