CID 9574628

N-[(z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methyleneamino]quinoline-2-carboxamidine

Structural Information

Molecular Formula
C26H19Cl2N5
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C(=N/N=C\C3=CN(C4=CC=CC=C43)CC5=C(C=C(C=C5)Cl)Cl)/N
InChI
InChI=1S/C26H19Cl2N5/c27-20-11-9-18(22(28)13-20)15-33-16-19(21-6-2-4-8-25(21)33)14-30-32-26(29)24-12-10-17-5-1-3-7-23(17)31-24/h1-14,16H,15H2,(H2,29,32)/b30-14-
InChIKey
YLFCZHCSFBWYRI-CPDSRJINSA-N
Compound name
N'-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]quinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

471.10175 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.10903 214.8
[M+Na]+ 494.09097 225.0
[M-H]- 470.09447 224.8
[M+NH4]+ 489.13557 225.2
[M+K]+ 510.06491 215.0
[M+H-H2O]+ 454.09901 202.9
[M+HCOO]- 516.09995 229.8
[M+CH3COO]- 530.11560 223.4
[M+Na-2H]- 492.07642 218.0
[M]+ 471.10120 220.6
[M]- 471.10230 220.6
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.