CID 6309637

Nsc677791

Structural Information

Molecular Formula
C21H24Cl2N2O2
SMILES
CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)/C=C/C2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C21H24Cl2N2O2/c1-24(2)12-15-10-14(11-16(21(15)27)13-25(3)4)20(26)9-8-17-18(22)6-5-7-19(17)23/h5-11,27H,12-13H2,1-4H3/b9-8+
InChIKey
BECHAMFDVUEQRA-CMDGGOBGSA-N
Compound name
(E)-1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(2,6-dichlorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1215 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.12878 196.7
[M+Na]+ 429.11072 204.4
[M-H]- 405.11422 204.1
[M+NH4]+ 424.15532 209.5
[M+K]+ 445.08466 198.4
[M+H-H2O]+ 389.11876 189.8
[M+HCOO]- 451.11970 210.5
[M+CH3COO]- 465.13535 233.0
[M+Na-2H]- 427.09617 193.9
[M]+ 406.12095 204.0
[M]- 406.12205 204.0
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.