CID 47626

2-[4-(4-carbamimidoylphenoxy)phenyl]-1h-indole-6-carboximidamide

Structural Information

Molecular Formula
C22H19N5O
SMILES
C1=CC(=CC=C1C2=CC3=C(N2)C=C(C=C3)C(=N)N)OC4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C22H19N5O/c23-21(24)14-5-9-18(10-6-14)28-17-7-3-13(4-8-17)19-11-15-1-2-16(22(25)26)12-20(15)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
InChIKey
OSSYTOVYXCAWPG-UHFFFAOYSA-N
Compound name
2-[4-(4-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

14
Patents

369.15897 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16625 184.0
[M+Na]+ 392.14819 190.1
[M-H]- 368.15169 192.2
[M+NH4]+ 387.19279 194.9
[M+K]+ 408.12213 182.9
[M+H-H2O]+ 352.15623 174.5
[M+HCOO]- 414.15717 207.5
[M+CH3COO]- 428.17282 193.2
[M+Na-2H]- 390.13364 187.1
[M]+ 369.15842 179.3
[M]- 369.15952 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

literature stripe

Patent stripe

patents stripe