CID 11268462

Chembl483571

Structural Information

Molecular Formula
C22H26N4O
SMILES
CC(C)N=C(C1=CC2=C(C=C1)OC(=C2)C3=CC(=CC=C3)C(=NC(C)C)N)N
InChI
InChI=1S/C22H26N4O/c1-13(2)25-21(23)16-7-5-6-15(10-16)20-12-18-11-17(8-9-19(18)27-20)22(24)26-14(3)4/h5-14H,1-4H3,(H2,23,25)(H2,24,26)
InChIKey
SLFMUPLMBSOCTH-UHFFFAOYSA-N
Compound name
N'-propan-2-yl-2-[3-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzofuran-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

362.21066 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.21794 194.6
[M+Na]+ 385.19988 199.5
[M-H]- 361.20338 204.8
[M+NH4]+ 380.24448 208.2
[M+K]+ 401.17382 197.0
[M+H-H2O]+ 345.20792 185.5
[M+HCOO]- 407.20886 219.5
[M+CH3COO]- 421.22451 233.4
[M+Na-2H]- 383.18533 194.2
[M]+ 362.21011 195.6
[M]- 362.21121 195.6
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