CID 24978543

N-[2-(diethylamino)ethyl]-5-[(z)-(5-fluoro-2-oxo-1h-indol-3-ylidene)methyl]-2,4-dimethyl-3h-pyrrole-3-carboxamide

Structural Information

Molecular Formula
C22H27FN4O2
SMILES
CCN(CC)CCNC(=O)C1C(=C(N=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C
InChI
InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,20H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKey
WZIXOZNAMZUGQS-ATVHPVEESA-N
Compound name
N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-3H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2118 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21908 199.2
[M+Na]+ 421.20102 206.9
[M+NH4]+ 416.24562 203.3
[M+K]+ 437.17496 204.9
[M-H]- 397.20452 199.6
[M+Na-2H]- 419.18647 200.1
[M]+ 398.21125 199.8
[M]- 398.21235 199.8
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.