CID 5478801

Chembl167605

Structural Information

Molecular Formula
C18H17N5
SMILES
C1=CC(=CC=C1/C=C/C2=CC3=C(N2)C=C(C=C3)C(=N)N)C(=N)N
InChI
InChI=1S/C18H17N5/c19-17(20)12-4-1-11(2-5-12)3-8-15-9-13-6-7-14(18(21)22)10-16(13)23-15/h1-10,23H,(H3,19,20)(H3,21,22)/b8-3+
InChIKey
ZGFPRKOKGDLAKC-FPYGCLRLSA-N
Compound name
2-[(E)-2-(4-carbamimidoylphenyl)ethenyl]-1H-indole-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

303.1484 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.15568 169.7
[M+Na]+ 326.13762 176.1
[M-H]- 302.14112 174.6
[M+NH4]+ 321.18222 183.7
[M+K]+ 342.11156 168.7
[M+H-H2O]+ 286.14566 161.4
[M+HCOO]- 348.14660 193.4
[M+CH3COO]- 362.16225 179.6
[M+Na-2H]- 324.12307 172.7
[M]+ 303.14785 163.4
[M]- 303.14895 163.4
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