CID 9575319

(hydroxyimino){4-[5-(4-(2-imidazolin-2-yl)phenoxy)pentyloxy]phenyl}methylamine

Structural Information

Molecular Formula
C21H26N4O3
SMILES
C1CN=C(N1)C2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)/C(=N/O)/N
InChI
InChI=1S/C21H26N4O3/c22-20(25-26)16-4-8-18(9-5-16)27-14-2-1-3-15-28-19-10-6-17(7-11-19)21-23-12-13-24-21/h4-11,26H,1-3,12-15H2,(H2,22,25)(H,23,24)
InChIKey
YRDDMJVFVXFSQK-UHFFFAOYSA-N
Compound name
4-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.2005 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.207776 189.2
[M+Na]+ 405.189718 191.9
[M-H]- 381.193224 193.8
[M+NH4]+ 400.234323 197.5
[M+K]+ 421.163658 186.6
[M+H-H2O]+ 365.197760 178.0
[M+HCOO]- 427.198701 209.0
[M+CH3COO]- 441.214351 219.4
[M+Na-2H]- 403.175166 190.1
[M]+ 382.19995142 187.8
[M]- 382.20104858 187.8
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.