CID 9574616

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

Structural Information

Molecular Formula
C22H18BrN5
SMILES
C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)/C=N\N=C(\C4=CC=CC=N4)/N)Br
InChI
InChI=1S/C22H18BrN5/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
FQWKTYUDLHUKRD-ZMFRSBBQSA-N
Compound name
N'-[(Z)-[1-[(2-bromophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.07455 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.08183 194.0
[M+Na]+ 454.06377 203.9
[M-H]- 430.06727 206.3
[M+NH4]+ 449.10837 207.3
[M+K]+ 470.03771 189.9
[M+H-H2O]+ 414.07181 188.7
[M+HCOO]- 476.07275 218.0
[M+CH3COO]- 490.08840 205.7
[M+Na-2H]- 452.04922 200.3
[M]+ 431.07400 213.0
[M]- 431.07510 213.0
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.