CID 72437

1,3-bis(4-amidino-2-methoxyphenoxy)propane

Structural Information

Molecular Formula
C19H24N4O4
SMILES
COC1=C(C=CC(=C1)C(=N)N)OCCCOC2=C(C=C(C=C2)C(=N)N)OC
InChI
InChI=1S/C19H24N4O4/c1-24-16-10-12(18(20)21)4-6-14(16)26-8-3-9-27-15-7-5-13(19(22)23)11-17(15)25-2/h4-7,10-11H,3,8-9H2,1-2H3,(H3,20,21)(H3,22,23)
InChIKey
YBEQGLWWCCCCRA-UHFFFAOYSA-N
Compound name
4-[3-(4-carbamimidoyl-2-methoxyphenoxy)propoxy]-3-methoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

78
Patents

372.17975 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.18703 188.1
[M+Na]+ 395.16897 192.0
[M-H]- 371.17247 193.8
[M+NH4]+ 390.21357 198.3
[M+K]+ 411.14291 189.5
[M+H-H2O]+ 355.17701 178.3
[M+HCOO]- 417.17795 212.6
[M+CH3COO]- 431.19360 230.4
[M+Na-2H]- 393.15442 188.1
[M]+ 372.17920 188.6
[M]- 372.18030 188.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.