CID 5482293

N'-hydroxy-4-[4-[4-[(z)-n'-hydroxycarbamimidoyl]phenoxy]butoxy]benzamidine

Structural Information

Molecular Formula
C18H22N4O4
SMILES
C1=CC(=CC=C1/C(=N\O)/N)OCCCCOC2=CC=C(C=C2)/C(=N/O)/N
InChI
InChI=1S/C18H22N4O4/c19-17(21-23)13-3-7-15(8-4-13)25-11-1-2-12-26-16-9-5-14(6-10-16)18(20)22-24/h3-10,23-24H,1-2,11-12H2,(H2,19,21)(H2,20,22)
InChIKey
UETCYECPKUXBLT-UHFFFAOYSA-N
Compound name
N'-hydroxy-4-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]butoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

112
Patents

358.1641 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17138 182.2
[M+Na]+ 381.15332 184.9
[M-H]- 357.15682 187.3
[M+NH4]+ 376.19792 192.4
[M+K]+ 397.12726 182.3
[M+H-H2O]+ 341.16136 172.2
[M+HCOO]- 403.16230 207.1
[M+CH3COO]- 417.17795 223.5
[M+Na-2H]- 379.13877 184.2
[M]+ 358.16355 181.4
[M]- 358.16465 181.4
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

patents stripe