CID 14116743

Chembl3277920

Structural Information

Molecular Formula
C22H22N4O2
SMILES
C1=CC(=CC(=C1)COC2=CC=C(C=C2)C(=N)N)COC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C22H22N4O2/c23-21(24)17-4-8-19(9-5-17)27-13-15-2-1-3-16(12-15)14-28-20-10-6-18(7-11-20)22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)
InChIKey
OHCPXJHKRQZPCL-UHFFFAOYSA-N
Compound name
4-[[3-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

6
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

patents stripe