CID 135705608

3-indolyl-methyl ketazine

Structural Information

Molecular Formula
C20H18N4
SMILES
C/C(=N\N=C(\C1=CNC2=CC=CC=C12)/C)/C3=CNC4=CC=CC=C34
InChI
InChI=1S/C20H18N4/c1-13(17-11-21-19-9-5-3-7-15(17)19)23-24-14(2)18-12-22-20-10-6-4-8-16(18)20/h3-12,21-22H,1-2H3/b23-13+,24-14+
InChIKey
MYFIGWQIMQGENQ-RNIAWFEPSA-N
Compound name
(E)-1-(1H-indol-3-yl)-N-[(E)-1-(1H-indol-3-yl)ethylideneamino]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.15314 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.16042 173.4
[M+Na]+ 337.14236 181.9
[M-H]- 313.14586 180.5
[M+NH4]+ 332.18696 190.1
[M+K]+ 353.11630 175.1
[M+H-H2O]+ 297.15040 164.5
[M+HCOO]- 359.15134 197.6
[M+CH3COO]- 373.16699 184.8
[M+Na-2H]- 335.12781 178.1
[M]+ 314.15259 174.5
[M]- 314.15369 174.5
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.