CID 148959

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

Structural Information

Molecular Formula
C18H22N4O2
SMILES
C1=CC(=CC(=C1)OCCCCOC2=CC=CC(=C2)C(=N)N)C(=N)N
InChI
InChI=1S/C18H22N4O2/c19-17(20)13-5-3-7-15(11-13)23-9-1-2-10-24-16-8-4-6-14(12-16)18(21)22/h3-8,11-12H,1-2,9-10H2,(H3,19,20)(H3,21,22)
InChIKey
NQRUGGAQLZEIKK-UHFFFAOYSA-N
Compound name
3-[4-(3-carbamimidoylphenoxy)butoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

326.1743 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 177.0
[M+Na]+ 349.16352 180.0
[M-H]- 325.16702 182.2
[M+NH4]+ 344.20812 188.7
[M+K]+ 365.13746 176.0
[M+H-H2O]+ 309.17156 167.6
[M+HCOO]- 371.17250 201.6
[M+CH3COO]- 385.18815 220.2
[M+Na-2H]- 347.14897 178.8
[M]+ 326.17375 173.7
[M]- 326.17485 173.7
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.