CID 52601

1h-indole-6-carboximidamide, 2-(4-(3-(aminoiminomethyl)phenoxy)phenyl)-

Structural Information

Molecular Formula
C22H19N5O
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)C3=CC4=C(N3)C=C(C=C4)C(=N)N)C(=N)N
InChI
InChI=1S/C22H19N5O/c23-21(24)15-2-1-3-18(10-15)28-17-8-6-13(7-9-17)19-11-14-4-5-16(22(25)26)12-20(14)27-19/h1-12,27H,(H3,23,24)(H3,25,26)
InChIKey
JIAOXABVTMPZRF-UHFFFAOYSA-N
Compound name
2-[4-(3-carbamimidoylphenoxy)phenyl]-1H-indole-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
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