CID 147925

4,4'-(1,4-butanediylbis(oxy))bis(3-methoxybenzenecarboximidamide)

Structural Information

Molecular Formula
C20H26N4O4
SMILES
COC1=C(C=CC(=C1)C(=N)N)OCCCCOC2=C(C=C(C=C2)C(=N)N)OC
InChI
InChI=1S/C20H26N4O4/c1-25-17-11-13(19(21)22)5-7-15(17)27-9-3-4-10-28-16-8-6-14(20(23)24)12-18(16)26-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H3,21,22)(H3,23,24)
InChIKey
AWCKLOPZHLHTAD-UHFFFAOYSA-N
Compound name
4-[4-(4-carbamimidoyl-2-methoxyphenoxy)butoxy]-3-methoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

152
Patents

386.1954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.20268 192.5
[M+Na]+ 409.18462 195.9
[M-H]- 385.18812 197.9
[M+NH4]+ 404.22922 202.0
[M+K]+ 425.15856 193.1
[M+H-H2O]+ 369.19266 182.4
[M+HCOO]- 431.19360 216.5
[M+CH3COO]- 445.20925 233.4
[M+Na-2H]- 407.17007 191.9
[M]+ 386.19485 193.3
[M]- 386.19595 193.3
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