CID 512933

2-[(3-nitro-2,5-diphenyl-pyrrol-1-yl)methoxy]ethanol

Structural Information

Molecular Formula
C19H18N2O4
SMILES
C1=CC=C(C=C1)C2=CC(=C(N2COCCO)C3=CC=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H18N2O4/c22-11-12-25-14-20-17(15-7-3-1-4-8-15)13-18(21(23)24)19(20)16-9-5-2-6-10-16/h1-10,13,22H,11-12,14H2
InChIKey
GYBCTZJFSLTFGY-UHFFFAOYSA-N
Compound name
2-[(3-nitro-2,5-diphenylpyrrol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.12665 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13393 179.0
[M+Na]+ 361.11587 184.3
[M-H]- 337.11937 186.4
[M+NH4]+ 356.16047 190.7
[M+K]+ 377.08981 175.5
[M+H-H2O]+ 321.12391 173.9
[M+HCOO]- 383.12485 202.1
[M+CH3COO]- 397.14050 201.9
[M+Na-2H]- 359.10132 183.2
[M]+ 338.12610 179.0
[M]- 338.12720 179.0
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.