CID 492020

Chembl43416

Structural Information

Molecular Formula
C19H18N4O5
SMILES
CC1=NC=C(N1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H18N4O5/c1-14-20-13-18(23(26)27)21(14)11-12-28-19(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(24)25/h2-10,13,19H,11-12H2,1H3
InChIKey
LEKPJUMQUPRAEL-UHFFFAOYSA-N
Compound name
2-methyl-5-nitro-1-[2-[(4-nitrophenyl)-phenylmethoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

382.12772 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13500 190.3
[M+Na]+ 405.11694 193.0
[M-H]- 381.12044 197.3
[M+NH4]+ 400.16154 197.7
[M+K]+ 421.09088 181.3
[M+H-H2O]+ 365.12498 187.9
[M+HCOO]- 427.12592 212.2
[M+CH3COO]- 441.14157 207.9
[M+Na-2H]- 403.10239 196.0
[M]+ 382.12717 188.2
[M]- 382.12827 188.2
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.