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]+ 344.15058 179.4
[M+Na]+ 366.13252 187.7
[M-H]- 342.13602 187.0
[M+NH4]+ 361.17712 193.4
[M+K]+ 382.10646 181.2
[M+H-H2O]+ 326.14056 171.9
[M+HCOO]- 388.14150 203.4
[M+CH3COO]- 402.15715 189.9
[M+Na-2H]- 364.11797 182.5
[M]+ 343.14275 177.5
[M]- 343.14385 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.