CID 10379764

Schembl2109450

Structural Information

Molecular Formula
C19H21NO2
SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2OC3=C1C=C(C=C3)OC
InChI
InChI=1S/C19H21NO2/c1-20(2)12-6-8-15-16-7-4-5-9-18(16)22-19-11-10-14(21-3)13-17(15)19/h4-5,7-11,13H,6,12H2,1-3H3/b15-8-
InChIKey
CVEKPEDQESUNSP-NVNXTCNLSA-N
Compound name
(3Z)-3-(2-methoxyxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

295.15723 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.16451 170.1
[M+Na]+ 318.14645 177.3
[M-H]- 294.14995 177.1
[M+NH4]+ 313.19105 186.8
[M+K]+ 334.12039 174.6
[M+H-H2O]+ 278.15449 161.9
[M+HCOO]- 340.15543 190.6
[M+CH3COO]- 354.17108 211.2
[M+Na-2H]- 316.13190 176.4
[M]+ 295.15668 173.8
[M]- 295.15778 173.8
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

patents stripe