CID 135705608

Ketone, 3-indolyl methyl, azine

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]+ 315.160416 173.4
[M+Na]+ 337.142358 181.9
[M-H]- 313.145864 180.5
[M+NH4]+ 332.186963 190.1
[M+K]+ 353.116298 175.1
[M+H-H2O]+ 297.150400 164.5
[M+HCOO]- 359.151341 197.6
[M+CH3COO]- 373.166991 184.8
[M+Na-2H]- 335.127806 178.1
[M]+ 314.15259142 174.5
[M]- 314.15368858 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.