CID 480179

Chembl25526

Structural Information

Molecular Formula
C19H22N4O2
SMILES
C1[C@H]([C@@H]1COC2=CC=C(C=C2)C(=N)N)COC3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C19H22N4O2/c20-18(21)12-1-5-16(6-2-12)24-10-14-9-15(14)11-25-17-7-3-13(4-8-17)19(22)23/h1-8,14-15H,9-11H2,(H3,20,21)(H3,22,23)/t14-,15-/m0/s1
InChIKey
HJMSSCHZEZQMCK-GJZGRUSLSA-N
Compound name
4-[[(1R,2R)-2-[(4-carbamimidoylphenoxy)methyl]cyclopropyl]methoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

338.1743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 169.3
[M+Na]+ 361.16352 174.9
[M-H]- 337.16702 178.5
[M+NH4]+ 356.20812 176.4
[M+K]+ 377.13746 169.3
[M+H-H2O]+ 321.17156 161.2
[M+HCOO]- 383.17250 194.5
[M+CH3COO]- 397.18815 224.4
[M+Na-2H]- 359.14897 171.6
[M]+ 338.17375 168.6
[M]- 338.17485 168.6
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.