CID 480162

Schembl7724232

Structural Information

Molecular Formula
C26H34N6O
SMILES
CN(C)CCN=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NCCN(C)C)N)N
InChI
InChI=1S/C26H34N6O/c1-31(2)17-15-29-25(27)21-9-5-19(6-10-21)23-13-14-24(33-23)20-7-11-22(12-8-20)26(28)30-16-18-32(3)4/h5-14H,15-18H2,1-4H3,(H2,27,29)(H2,28,30)
InChIKey
VSCBMMDVRCUFGD-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-4-[5-[4-[N'-[2-(dimethylamino)ethyl]carbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

446.27942 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.28670 218.7
[M+Na]+ 469.26864 219.7
[M-H]- 445.27214 232.6
[M+NH4]+ 464.31324 227.8
[M+K]+ 485.24258 218.7
[M+H-H2O]+ 429.27668 206.5
[M+HCOO]- 491.27762 247.1
[M+CH3COO]- 505.29327 258.4
[M+Na-2H]- 467.25409 216.7
[M]+ 446.27887 220.5
[M]- 446.27997 220.5
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.