CID 485878

Chembl1192570

Structural Information

Molecular Formula
C26H32N4O
SMILES
CC1=C(OC(=C1C2=CC=C(C=C2)C(=NC(C)C)N)C)C3=CC=C(C=C3)C(=NC(C)C)N
InChI
InChI=1S/C26H32N4O/c1-15(2)29-25(27)21-11-7-19(8-12-21)23-17(5)24(31-18(23)6)20-9-13-22(14-10-20)26(28)30-16(3)4/h7-16H,1-6H3,(H2,27,29)(H2,28,30)
InChIKey
HFZCRXJRHVRCGS-UHFFFAOYSA-N
Compound name
4-[2,4-dimethyl-5-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]furan-3-yl]-N'-propan-2-ylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.2576 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.26488 212.9
[M+Na]+ 439.24682 216.8
[M-H]- 415.25032 225.2
[M+NH4]+ 434.29142 223.3
[M+K]+ 455.22076 213.8
[M+H-H2O]+ 399.25486 202.8
[M+HCOO]- 461.25580 236.5
[M+CH3COO]- 475.27145 246.3
[M+Na-2H]- 437.23227 207.3
[M]+ 416.25705 213.4
[M]- 416.25815 213.4
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.