CID 5478777

2-aivbc

Structural Information

Molecular Formula
C20H17N5O
SMILES
C1=CC2=C(C=C1C(=N)N)NC(=C2)/C=C/C3=CC4=C(O3)C=CC(=C4)C(=N)N
InChI
InChI=1S/C20H17N5O/c21-19(22)12-3-6-18-14(7-12)9-16(26-18)5-4-15-8-11-1-2-13(20(23)24)10-17(11)25-15/h1-10,25H,(H3,21,22)(H3,23,24)/b5-4+
InChIKey
GCRYQJZPRMMLMQ-SNAWJCMRSA-N
Compound name
2-[(E)-2-(5-carbamimidoyl-1-benzofuran-2-yl)ethenyl]-1H-indole-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

343.1433 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.150576 179.4
[M+Na]+ 366.132518 187.7
[M-H]- 342.136024 187.0
[M+NH4]+ 361.177123 193.4
[M+K]+ 382.106458 181.2
[M+H-H2O]+ 326.140560 171.9
[M+HCOO]- 388.141501 203.4
[M+CH3COO]- 402.157151 189.9
[M+Na-2H]- 364.117966 182.5
[M]+ 343.14275142 177.5
[M]- 343.14384858 177.5
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.