CID 9927

Nsc 400913

Structural Information

Molecular Formula
C19H19NO
SMILES
CN(C)CC1=C(OC(=C1)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO/c1-20(2)14-17-13-18(15-9-5-3-6-10-15)21-19(17)16-11-7-4-8-12-16/h3-13H,14H2,1-2H3
InChIKey
IAIFBWWPNUFAQI-UHFFFAOYSA-N
Compound name
1-(2,5-diphenylfuran-3-yl)-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.14667 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.15395 166.0
[M+Na]+ 300.13589 173.0
[M-H]- 276.13939 178.0
[M+NH4]+ 295.18049 182.6
[M+K]+ 316.10983 170.3
[M+H-H2O]+ 260.14393 157.6
[M+HCOO]- 322.14487 191.7
[M+CH3COO]- 336.16052 179.0
[M+Na-2H]- 298.12134 170.0
[M]+ 277.14612 168.4
[M]- 277.14722 168.4
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.