CID 6435280

2-(2-(4-(4-(aminoiminomethyl)phenoxy)phenyl)ethenyl)-1h-indole-6-carboximidamide

Structural Information

Molecular Formula
C24H21N5O
SMILES
C1=CC(=CC=C1/C=C/C2=CC3=C(N2)C=C(C=C3)C(=N)N)OC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C24H21N5O/c25-23(26)16-6-11-21(12-7-16)30-20-9-2-15(3-10-20)1-8-19-13-17-4-5-18(24(27)28)14-22(17)29-19/h1-14,29H,(H3,25,26)(H3,27,28)/b8-1+
InChIKey
YKVHMCUFFLUYBW-UNXLUWIOSA-N
Compound name
2-[(E)-2-[4-(4-carbamimidoylphenoxy)phenyl]ethenyl]-1H-indole-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

395.17462 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18190 192.5
[M+Na]+ 418.16384 198.0
[M-H]- 394.16734 200.3
[M+NH4]+ 413.20844 202.2
[M+K]+ 434.13778 189.8
[M+H-H2O]+ 378.17188 182.7
[M+HCOO]- 440.17282 215.4
[M+CH3COO]- 454.18847 200.8
[M+Na-2H]- 416.14929 194.5
[M]+ 395.17407 187.6
[M]- 395.17517 187.6
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.