CID 42628075

4-[(1s)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1h-imidazol-2-amine

Structural Information

Molecular Formula
C19H19FN4O4
SMILES
COC1=C(C=C(C=C1)[N+](=O)[O-])C[C@@H](C2=CC(=C(C=C2)OC)F)C3=CN=C(N3)N
InChI
InChI=1S/C19H19FN4O4/c1-27-17-6-4-13(24(25)26)7-12(17)8-14(16-10-22-19(21)23-16)11-3-5-18(28-2)15(20)9-11/h3-7,9-10,14H,8H2,1-2H3,(H3,21,22,23)/t14-/m0/s1
InChIKey
RFLOFHKRBGKCOB-AWEZNQCLSA-N
Compound name
5-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-nitrophenyl)ethyl]-1H-imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

386.13904 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14632 187.3
[M+Na]+ 409.12826 193.0
[M-H]- 385.13176 192.4
[M+NH4]+ 404.17286 195.6
[M+K]+ 425.10220 183.9
[M+H-H2O]+ 369.13630 180.8
[M+HCOO]- 431.13724 207.5
[M+CH3COO]- 445.15289 214.7
[M+Na-2H]- 407.11371 189.0
[M]+ 386.13849 185.3
[M]- 386.13959 185.3
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.