CID 9574612

N-[(z)-(1-benzylindol-3-yl)methyleneamino]pyridine-2-carboxamidine

Structural Information

Molecular Formula
C22H19N5
SMILES
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=N\N=C(\C4=CC=CC=N4)/N
InChI
InChI=1S/C22H19N5/c23-22(20-11-6-7-13-24-20)26-25-14-18-16-27(15-17-8-2-1-3-9-17)21-12-5-4-10-19(18)21/h1-14,16H,15H2,(H2,23,26)/b25-14-
InChIKey
AHNANRYAZSFNBJ-QFEZKATASA-N
Compound name
N'-[(Z)-(1-benzylindol-3-yl)methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.16403 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.17131 182.9
[M+Na]+ 376.15325 190.0
[M-H]- 352.15675 193.1
[M+NH4]+ 371.19785 195.3
[M+K]+ 392.12719 183.0
[M+H-H2O]+ 336.16129 171.0
[M+HCOO]- 398.16223 209.8
[M+CH3COO]- 412.17788 193.5
[M+Na-2H]- 374.13870 189.6
[M]+ 353.16348 183.3
[M]- 353.16458 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.