CID 148851

Benzenecarboximidamide, 4,4'-(1,5-pentanediylbis(oxy))bis(3-bromo-

Structural Information

Molecular Formula
C19H22Br2N4O2
SMILES
C1=CC(=C(C=C1C(=N)N)Br)OCCCCCOC2=C(C=C(C=C2)C(=N)N)Br
InChI
InChI=1S/C19H22Br2N4O2/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
ZXPCUEQZOSZFTK-UHFFFAOYSA-N
Compound name
3-bromo-4-[5-(2-bromo-4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

496.01096 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.01824 191.2
[M+Na]+ 519.00018 195.9
[M-H]- 495.00368 197.6
[M+NH4]+ 514.04478 201.2
[M+K]+ 534.97412 177.8
[M+H-H2O]+ 479.00822 192.6
[M+HCOO]- 541.00916 205.8
[M+CH3COO]- 555.02481 240.7
[M+Na-2H]- 516.98563 191.0
[M]+ 496.01041 221.6
[M]- 496.01151 221.6
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.