CID 42195

Cr 615

Structural Information

Molecular Formula
C27H39N3O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(C)C)NC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C27H39N3O3/c1-6-16-30(17-7-2)27(32)25(28-26(31)23-12-8-21(3)9-13-23)20-22-10-14-24(15-11-22)33-19-18-29(4)5/h8-15,25H,6-7,16-20H2,1-5H3,(H,28,31)
InChIKey
WCSICYSXQCRDFJ-UHFFFAOYSA-N
Compound name
N-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.29913 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.30641 219.4
[M+Na]+ 476.28835 219.1
[M-H]- 452.29185 226.7
[M+NH4]+ 471.33295 227.8
[M+K]+ 492.26229 217.8
[M+H-H2O]+ 436.29639 208.2
[M+HCOO]- 498.29733 241.2
[M+CH3COO]- 512.31298 250.3
[M+Na-2H]- 474.27380 215.2
[M]+ 453.29858 224.8
[M]- 453.29968 224.8
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.