CID 5279044

Chembl187546

Structural Information

Molecular Formula
C19H19FN4O2
SMILES
CC1=NC=C(N1CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)F)[N+](=O)[O-]
InChI
InChI=1S/C19H19FN4O2/c1-14-22-13-18(24(25)26)23(14)12-11-21-19(15-5-3-2-4-6-15)16-7-9-17(20)10-8-16/h2-10,13,19,21H,11-12H2,1H3
InChIKey
LWUZPSVUGHFNCX-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)-phenylmethyl]-2-(2-methyl-5-nitroimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1492 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15648 181.1
[M+Na]+ 377.13842 186.0
[M-H]- 353.14192 187.1
[M+NH4]+ 372.18302 191.2
[M+K]+ 393.11236 176.5
[M+H-H2O]+ 337.14646 174.0
[M+HCOO]- 399.14740 203.1
[M+CH3COO]- 413.16305 211.2
[M+Na-2H]- 375.12387 184.9
[M]+ 354.14865 178.4
[M]- 354.14975 178.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.