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

literature stripe

Patent stripe

patents stripe