CID 5380354

Nsc92410

Structural Information

Molecular Formula
C20H21NO2
SMILES
CN(C)C1=CC=C(C=C1)/C=C/2\C=CC3=CC(=C(C=C32)OC)OC
InChI
InChI=1S/C20H21NO2/c1-21(2)17-9-5-14(6-10-17)11-15-7-8-16-12-19(22-3)20(23-4)13-18(15)16/h5-13H,1-4H3/b15-11+
InChIKey
AGPRWMSPKUNAAF-RVDMUPIBSA-N
Compound name
4-[(E)-(5,6-dimethoxyinden-1-ylidene)methyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.15723 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.16451 173.8
[M+Na]+ 330.14645 182.2
[M-H]- 306.14995 183.3
[M+NH4]+ 325.19105 192.3
[M+K]+ 346.12039 178.3
[M+H-H2O]+ 290.15449 166.0
[M+HCOO]- 352.15543 198.8
[M+CH3COO]- 366.17108 212.9
[M+Na-2H]- 328.13190 175.9
[M]+ 307.15668 178.6
[M]- 307.15778 178.6
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

No patent data available for this compound.