CID 3010937

Benzenecarboximidamide, 4,4'-[1,2-phenylenebis(oxymethylene)]bis-

Structural Information

Molecular Formula
C22H22N4O2
SMILES
C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=N)N)OCC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C22H22N4O2/c23-21(24)17-9-5-15(6-10-17)13-27-19-3-1-2-4-20(19)28-14-16-7-11-18(12-8-16)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
InChIKey
NGNNYXKLQYDNPQ-UHFFFAOYSA-N
Compound name
4-[[2-[(4-carbamimidoylphenyl)methoxy]phenoxy]methyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

374.1743 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18158 189.0
[M+Na]+ 397.16352 192.3
[M-H]- 373.16702 197.3
[M+NH4]+ 392.20812 198.3
[M+K]+ 413.13746 187.1
[M+H-H2O]+ 357.17156 178.5
[M+HCOO]- 419.17250 213.4
[M+CH3COO]- 433.18815 229.4
[M+Na-2H]- 395.14897 190.9
[M]+ 374.17375 185.0
[M]- 374.17485 185.0
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.