CID 9574621

N-[(z)-(1-benzylindol-3-yl)methyleneamino]quinoline-2-carboxamidine

Structural Information

Molecular Formula
C26H21N5
SMILES
C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)/C=N\N=C(\C4=NC5=CC=CC=C5C=C4)/N
InChI
InChI=1S/C26H21N5/c27-26(24-15-14-20-10-4-6-12-23(20)29-24)30-28-16-21-18-31(17-19-8-2-1-3-9-19)25-13-7-5-11-22(21)25/h1-16,18H,17H2,(H2,27,30)/b28-16-
InChIKey
DSZJAMKLBDANBF-NTFVMDSBSA-N
Compound name
N'-[(Z)-(1-benzylindol-3-yl)methylideneamino]quinoline-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.1797 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.18698 195.9
[M+Na]+ 426.16892 203.2
[M-H]- 402.17242 206.7
[M+NH4]+ 421.21352 207.0
[M+K]+ 442.14286 194.9
[M+H-H2O]+ 386.17696 183.3
[M+HCOO]- 448.17790 220.8
[M+CH3COO]- 462.19355 205.4
[M+Na-2H]- 424.15437 202.6
[M]+ 403.17915 196.6
[M]- 403.18025 196.6
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.