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

15
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 162.1
[M+Na]+ 309.11108 172.4
[M-H]- 285.11458 169.4
[M+NH4]+ 304.15568 180.2
[M+K]+ 325.08502 164.8
[M+H-H2O]+ 269.11912 153.3
[M+HCOO]- 331.12006 189.1
[M+CH3COO]- 345.13571 174.8
[M+Na-2H]- 307.09653 170.2
[M]+ 286.12131 163.8
[M]- 286.12241 163.8
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

patents stripe