CID 3010932

Chembl181480

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
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