CID 6473925

Chembl35758

Structural Information

Molecular Formula
C20H24N4O4
SMILES
COC1=C(C=CC(=C1)C(=N)N)OC/C=C/COC2=C(C=C(C=C2)C(=N)N)OC
InChI
InChI=1S/C20H24N4O4/c1-25-17-11-13(19(21)22)5-7-15(17)27-9-3-4-10-28-16-8-6-14(20(23)24)12-18(16)26-2/h3-8,11-12H,9-10H2,1-2H3,(H3,21,22)(H3,23,24)/b4-3+
InChIKey
MPPDVTKDCKJYHV-ONEGZZNKSA-N
Compound name
4-[(E)-4-(4-carbamimidoyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

384.17975 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18703 191.9
[M+Na]+ 407.16897 195.7
[M-H]- 383.17247 197.4
[M+NH4]+ 402.21357 201.5
[M+K]+ 423.14291 192.3
[M+H-H2O]+ 367.17701 181.9
[M+HCOO]- 429.17795 216.1
[M+CH3COO]- 443.19360 232.0
[M+Na-2H]- 405.15442 191.3
[M]+ 384.17920 191.9
[M]- 384.18030 191.9
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.