CID 6374691

Nsc677784

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C21H26N2O2/c1-22(2)14-18-12-17(13-19(21(18)25)15-23(3)4)20(24)11-10-16-8-6-5-7-9-16/h5-13,25H,14-15H2,1-4H3/b11-10+
InChIKey
CCNAPNBLWBUEDH-ZHACJKMWSA-N
Compound name
(E)-1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.206706 184.5
[M+Na]+ 361.188648 189.1
[M-H]- 337.192154 192.2
[M+NH4]+ 356.233253 198.0
[M+K]+ 377.162588 186.1
[M+H-H2O]+ 321.196690 175.4
[M+HCOO]- 383.197631 207.8
[M+CH3COO]- 397.213281 223.3
[M+Na-2H]- 359.174096 184.2
[M]+ 338.19888142 187.1
[M]- 338.19997858 187.1
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