CID 42193

Cr 616

Structural Information

Molecular Formula
C27H31N3O3
SMILES
CN(C)CCOC1=CC=C(C=C1)CC(C(=O)NCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H31N3O3/c1-30(2)17-18-33-24-15-13-21(14-16-24)19-25(29-26(31)23-11-7-4-8-12-23)27(32)28-20-22-9-5-3-6-10-22/h3-16,25H,17-20H2,1-2H3,(H,28,32)(H,29,31)
InChIKey
JOBYHDSHMVTOBW-UHFFFAOYSA-N
Compound name
N-[1-(benzylamino)-3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

445.23654 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.24382 211.2
[M+Na]+ 468.22576 210.9
[M-H]- 444.22926 220.2
[M+NH4]+ 463.27036 218.3
[M+K]+ 484.19970 207.7
[M+H-H2O]+ 428.23380 199.3
[M+HCOO]- 490.23474 233.7
[M+CH3COO]- 504.25039 241.8
[M+Na-2H]- 466.21121 211.4
[M]+ 445.23599 212.2
[M]- 445.23709 212.2
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