CID 6474474

Mls002693996

Structural Information

Molecular Formula
C19H16N2
SMILES
CC1=C(C2=CC=CC=C2N1)/C=C/3\C(=NC4=CC=CC=C43)C
InChI
InChI=1S/C19H16N2/c1-12-16(14-7-3-5-9-18(14)20-12)11-17-13(2)21-19-10-6-4-8-15(17)19/h3-11,20H,1-2H3/b17-11+
InChIKey
QZEAODHCQJHGHR-GZTJUZNOSA-N
Compound name
(3Z)-2-methyl-3-[(2-methyl-1H-indol-3-yl)methylidene]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

272.13135 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13863 165.0
[M+Na]+ 295.12057 176.8
[M-H]- 271.12407 171.1
[M+NH4]+ 290.16517 184.3
[M+K]+ 311.09451 168.8
[M+H-H2O]+ 255.12861 157.4
[M+HCOO]- 317.12955 186.4
[M+CH3COO]- 331.14520 177.7
[M+Na-2H]- 293.10602 167.9
[M]+ 272.13080 166.5
[M]- 272.13190 166.5
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

No patent data available for this compound.