CID 42170

Cr 829

Structural Information

Molecular Formula
C30H45N3O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCCCN(CC)CC)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C30H45N3O3/c1-5-20-33(21-6-2)30(35)28(31-29(34)26-14-10-9-11-15-26)24-25-16-18-27(19-17-25)36-23-13-12-22-32(7-3)8-4/h9-11,14-19,28H,5-8,12-13,20-24H2,1-4H3,(H,31,34)
InChIKey
WYOBHRZHCUTTJW-UHFFFAOYSA-N
Compound name
N-[3-[4-[4-(diethylamino)butoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.3461 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.35338 232.6
[M+Na]+ 518.33532 230.1
[M-H]- 494.33882 238.9
[M+NH4]+ 513.37992 238.9
[M+K]+ 534.30926 228.0
[M+H-H2O]+ 478.34336 220.6
[M+HCOO]- 540.34430 253.3
[M+CH3COO]- 554.35995 257.6
[M+Na-2H]- 516.32077 227.7
[M]+ 495.34555 238.6
[M]- 495.34665 238.6
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

No patent data available for this compound.