CID 5484362

Indole, 3-(3h-indol-3-ylidenemethyl)-

Structural Information

Molecular Formula
C17H12N2
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=C/3\C=NC4=CC=CC=C43
InChI
InChI=1S/C17H12N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-11,18H/b13-9+
InChIKey
DBWOMMLCMHIBTN-UKTHLTGXSA-N
Compound name
(3Z)-3-(1H-indol-3-ylmethylidene)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.10005 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10733 154.7
[M+Na]+ 267.08927 165.6
[M-H]- 243.09277 160.4
[M+NH4]+ 262.13387 174.5
[M+K]+ 283.06321 158.1
[M+H-H2O]+ 227.09731 147.0
[M+HCOO]- 289.09825 176.9
[M+CH3COO]- 303.11390 167.6
[M+Na-2H]- 265.07472 160.2
[M]+ 244.09950 154.8
[M]- 244.10060 154.8
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.