CID 5271094

Schembl549139

Structural Information

Molecular Formula
C26H32N4O3
SMILES
CN(C)CCNC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=O)NCCN(C)C
InChI
InChI=1S/C26H32N4O3/c1-29(2)17-15-27-25(31)21-9-5-19(6-10-21)23-13-14-24(33-23)20-7-11-22(12-8-20)26(32)28-16-18-30(3)4/h5-14H,15-18H2,1-4H3,(H,27,31)(H,28,32)
InChIKey
VDIRMOFLNZOMMI-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-4-[5-[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]furan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

448.24744 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.25472 216.3
[M+Na]+ 471.23666 217.8
[M-H]- 447.24016 228.7
[M+NH4]+ 466.28126 224.9
[M+K]+ 487.21060 216.8
[M+H-H2O]+ 431.24470 205.1
[M+HCOO]- 493.24564 241.5
[M+CH3COO]- 507.26129 249.0
[M+Na-2H]- 469.22211 214.6
[M]+ 448.24689 220.5
[M]- 448.24799 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

patents stripe