CID 449289

Chembl24808

Structural Information

Molecular Formula
C24H28N4O
SMILES
CC(C)N=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NC(C)C)N)N
InChI
InChI=1S/C24H28N4O/c1-15(2)27-23(25)19-9-5-17(6-10-19)21-13-14-22(29-21)18-7-11-20(12-8-18)24(26)28-16(3)4/h5-16H,1-4H3,(H2,25,27)(H2,26,28)
InChIKey
MDEXIFUTWBIVQM-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-4-[5-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

190
Patents

388.22632 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.23360 202.7
[M+Na]+ 411.21554 205.7
[M-H]- 387.21904 214.6
[M+NH4]+ 406.26014 213.7
[M+K]+ 427.18948 203.0
[M+H-H2O]+ 371.22358 192.5
[M+HCOO]- 433.22452 227.1
[M+CH3COO]- 447.24017 237.8
[M+Na-2H]- 409.20099 199.7
[M]+ 388.22577 201.7
[M]- 388.22687 201.7
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