CID 9574623

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

Structural Information

Molecular Formula
C26H20ClN5
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C(=N/N=C\C3=CN(C4=CC=CC=C43)CC5=CC(=CC=C5)Cl)/N
InChI
InChI=1S/C26H20ClN5/c27-21-8-5-6-18(14-21)16-32-17-20(22-9-2-4-11-25(22)32)15-29-31-26(28)24-13-12-19-7-1-3-10-23(19)30-24/h1-15,17H,16H2,(H2,28,31)/b29-15-
InChIKey
HMKSQNCOZPBTCI-FDVSRXAVSA-N
Compound name
N'-[(Z)-[1-[(3-chlorophenyl)methyl]indol-3-yl]methylideneamino]quinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.14072 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.14800 206.3
[M+Na]+ 460.12994 215.2
[M-H]- 436.13344 217.0
[M+NH4]+ 455.17454 217.2
[M+K]+ 476.10388 205.8
[M+H-H2O]+ 420.13798 194.0
[M+HCOO]- 482.13892 226.5
[M+CH3COO]- 496.15457 215.5
[M+Na-2H]- 458.11539 211.3
[M]+ 437.14017 210.0
[M]- 437.14127 210.0
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.