CID 6050372

Nsc683832

Structural Information

Molecular Formula
C21H24ClFN2O2
SMILES
CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)/C=C/C2=C(C=CC=C2Cl)F
InChI
InChI=1S/C21H24ClFN2O2/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
ODFFWUKIHHWKTC-CMDGGOBGSA-N
Compound name
(E)-1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(2-chloro-6-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.15103 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15831 193.6
[M+Na]+ 413.14025 201.0
[M-H]- 389.14375 200.5
[M+NH4]+ 408.18485 206.6
[M+K]+ 429.11419 195.9
[M+H-H2O]+ 373.14829 184.9
[M+HCOO]- 435.14923 211.4
[M+CH3COO]- 449.16488 232.0
[M+Na-2H]- 411.12570 190.9
[M]+ 390.15048 198.5
[M]- 390.15158 198.5
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.