CID 9574613

N-[(z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methyleneamino]pyridine-2-carboxamidine

Structural Information

Molecular Formula
C22H18ClN5
SMILES
C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)/C=N\N=C(\C4=CC=CC=N4)/N)Cl
InChI
InChI=1S/C22H18ClN5/c23-19-9-3-1-7-16(19)14-28-15-17(18-8-2-4-11-21(18)28)13-26-27-22(24)20-10-5-6-12-25-20/h1-13,15H,14H2,(H2,24,27)/b26-13-
InChIKey
GBJFAWPQTWBHHS-ZMFRSBBQSA-N
Compound name
N'-[(Z)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.12506 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13234 193.1
[M+Na]+ 410.11428 201.9
[M-H]- 386.11778 203.3
[M+NH4]+ 405.15888 205.3
[M+K]+ 426.08822 193.5
[M+H-H2O]+ 370.12232 181.5
[M+HCOO]- 432.12326 215.3
[M+CH3COO]- 446.13891 203.4
[M+Na-2H]- 408.09973 198.2
[M]+ 387.12451 196.4
[M]- 387.12561 196.4
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

No patent data available for this compound.