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]+ 383.20778 189.2
[M+Na]+ 405.18972 191.9
[M-H]- 381.19322 193.8
[M+NH4]+ 400.23432 197.5
[M+K]+ 421.16366 186.6
[M+H-H2O]+ 365.19776 178.0
[M+HCOO]- 427.19870 209.0
[M+CH3COO]- 441.21435 219.4
[M+Na-2H]- 403.17517 190.1
[M]+ 382.19995 187.8
[M]- 382.20105 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.