CID 11974

Dibrompropamidine

Structural Information

Molecular Formula
C17H18Br2N4O2
SMILES
C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br
InChI
InChI=1S/C17H18Br2N4O2/c18-12-8-10(16(20)21)2-4-14(12)24-6-1-7-25-15-5-3-11(17(22)23)9-13(15)19/h2-5,8-9H,1,6-7H2,(H3,20,21)(H3,22,23)
InChIKey
GMJFVGRUYJHMCO-UHFFFAOYSA-N
Compound name
3-bromo-4-[3-(2-bromo-4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

35
References

2709
Patents

467.97964 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.98692 183.6
[M+Na]+ 490.96886 189.0
[M-H]- 466.97236 190.3
[M+NH4]+ 486.01346 194.5
[M+K]+ 506.94280 171.2
[M+H-H2O]+ 450.97690 185.4
[M+HCOO]- 512.97784 198.8
[M+CH3COO]- 526.99349 236.2
[M+Na-2H]- 488.95431 184.3
[M]+ 467.97909 213.6
[M]- 467.98019 213.6
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