CID 147910

125880-75-3

Structural Information

Molecular Formula
C19H22Cl2N4O2
SMILES
C1=CC(=C(C=C1C(=N)N)Cl)OCCCCCOC2=C(C=C(C=C2)C(=N)N)Cl
InChI
InChI=1S/C19H22Cl2N4O2/c20-14-10-12(18(22)23)4-6-16(14)26-8-2-1-3-9-27-17-7-5-13(19(24)25)11-15(17)21/h4-7,10-11H,1-3,8-9H2,(H3,22,23)(H3,24,25)
InChIKey
UHXIDMNAFKSRPE-UHFFFAOYSA-N
Compound name
4-[5-(4-carbamimidoyl-2-chlorophenoxy)pentoxy]-3-chlorobenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

408.11197 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.11925 197.8
[M+Na]+ 431.10119 203.4
[M-H]- 407.10469 202.6
[M+NH4]+ 426.14579 208.3
[M+K]+ 447.07513 196.3
[M+H-H2O]+ 391.10923 190.6
[M+HCOO]- 453.11017 212.6
[M+CH3COO]- 467.12582 233.0
[M+Na-2H]- 429.08664 196.1
[M]+ 408.11142 199.6
[M]- 408.11252 199.6
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.