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]+ 339.20671 184.5
[M+Na]+ 361.18865 189.1
[M-H]- 337.19215 192.2
[M+NH4]+ 356.23325 198.0
[M+K]+ 377.16259 186.1
[M+H-H2O]+ 321.19669 175.4
[M+HCOO]- 383.19763 207.8
[M+CH3COO]- 397.21328 223.3
[M+Na-2H]- 359.17410 184.2
[M]+ 338.19888 187.1
[M]- 338.19998 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

No patent data available for this compound.