CID 9574626

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

Structural Information

Molecular Formula
C26H20BrN5
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C(=N/N=C\C3=CN(C4=CC=CC=C43)CC5=CC(=CC=C5)Br)/N
InChI
InChI=1S/C26H20BrN5/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
YYODIBJGHZQYBM-FDVSRXAVSA-N
Compound name
N'-[(Z)-[1-[(3-bromophenyl)methyl]indol-3-yl]methylideneamino]quinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

481.0902 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.09748 208.8
[M+Na]+ 504.07942 218.5
[M-H]- 480.08292 221.5
[M+NH4]+ 499.12402 220.8
[M+K]+ 520.05336 204.1
[M+H-H2O]+ 464.08746 203.0
[M+HCOO]- 526.08840 230.8
[M+CH3COO]- 540.10405 219.2
[M+Na-2H]- 502.06487 214.7
[M]+ 481.08965 227.8
[M]- 481.09075 227.8
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.