CID 135400613

Indole-3-aldehyde azine

Structural Information

Molecular Formula
C18H14N4
SMILES
C1=CC=C2NC=C(C2=C1)/C=N/N=C/C3=CNC4=CC=CC=C34
InChI
InChI=1S/C18H14N4/c1-3-7-17-15(5-1)13(9-19-17)11-21-22-12-14-10-20-18-8-4-2-6-16(14)18/h1-12,19-20H/b21-11+,22-12+
InChIKey
OUAMYDYQMNKPLV-XHQRYOPUSA-N
Compound name
(E)-1-(1H-indol-3-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]methanimine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

14
Patents

286.12186 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12914 165.1
[M+Na]+ 309.11108 179.8
[M+NH4]+ 304.15568 173.9
[M+K]+ 325.08502 174.0
[M-H]- 285.11458 170.4
[M+Na-2H]- 307.09653 174.3
[M]+ 286.12131 168.6
[M]- 286.12241 168.6
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

patents stripe