CID 2053058

300669-55-0

Structural Information

Molecular Formula
C21H24FN3O2
SMILES
CN(C)CCCNC(=O)/C(=C\C1=CC=C(C=C1)F)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H24FN3O2/c1-25(2)14-6-13-23-21(27)19(15-16-9-11-18(22)12-10-16)24-20(26)17-7-4-3-5-8-17/h3-5,7-12,15H,6,13-14H2,1-2H3,(H,23,27)(H,24,26)/b19-15+
InChIKey
DQGRCCVCDBGRIF-XDJHFCHBSA-N
Compound name
N-[(E)-3-[3-(dimethylamino)propylamino]-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.18524 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19252 191.0
[M+Na]+ 392.17446 193.0
[M-H]- 368.17796 196.5
[M+NH4]+ 387.21906 202.1
[M+K]+ 408.14840 189.6
[M+H-H2O]+ 352.18250 180.3
[M+HCOO]- 414.18344 213.5
[M+CH3COO]- 428.19909 227.5
[M+Na-2H]- 390.15991 190.8
[M]+ 369.18469 189.5
[M]- 369.18579 189.5
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.