CID 42225

Cr 632

Structural Information

Molecular Formula
C30H45N3O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC(=C(C=C2)C)C
InChI
InChI=1S/C30H45N3O3/c1-7-17-33(18-8-2)30(35)28(31-29(34)26-14-11-23(5)24(6)21-26)22-25-12-15-27(16-13-25)36-20-19-32(9-3)10-4/h11-16,21,28H,7-10,17-20,22H2,1-6H3,(H,31,34)
InChIKey
DUMIUZGLSYHCIM-UHFFFAOYSA-N
Compound name
N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]-3,4-dimethylbenzamide
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 232.0
[M-H]- 494.33882 239.8
[M+NH4]+ 513.37992 239.6
[M+K]+ 534.30926 230.1
[M+H-H2O]+ 478.34336 221.2
[M+HCOO]- 540.34430 253.3
[M+CH3COO]- 554.35995 260.2
[M+Na-2H]- 516.32077 226.3
[M]+ 495.34555 239.5
[M]- 495.34665 239.5
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

No patent data available for this compound.