CID 54698214

Rxtfzoojaoywhp-uhfffaoysa-n

Structural Information

Molecular Formula
C19H25FN4O4
SMILES
CON(CC1=CC=C(C=C1)F)C(=O)C2=C(C(=O)N(C2)CCN3CCNCC3)O
InChI
InChI=1S/C19H25FN4O4/c1-28-24(12-14-2-4-15(20)5-3-14)18(26)16-13-23(19(27)17(16)25)11-10-22-8-6-21-7-9-22/h2-5,21,25H,6-13H2,1H3
InChIKey
RXTFZOOJAOYWHP-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]-4-hydroxy-N-methoxy-5-oxo-1-(2-piperazin-1-ylethyl)-2H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

392.18597 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19325 191.7
[M+Na]+ 415.17519 194.9
[M-H]- 391.17869 194.1
[M+NH4]+ 410.21979 198.9
[M+K]+ 431.14913 190.8
[M+H-H2O]+ 375.18323 180.1
[M+HCOO]- 437.18417 204.3
[M+CH3COO]- 451.19982 220.3
[M+Na-2H]- 413.16064 187.8
[M]+ 392.18542 187.5
[M]- 392.18652 187.5
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

patents stripe