CID 42172

Cr 625

Structural Information

Molecular Formula
C28H39N3O3
SMILES
CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN2CCCC2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C28H39N3O3/c1-3-16-31(17-4-2)28(33)26(29-27(32)24-10-6-5-7-11-24)22-23-12-14-25(15-13-23)34-21-20-30-18-8-9-19-30/h5-7,10-15,26H,3-4,8-9,16-22H2,1-2H3,(H,29,32)
InChIKey
QNIYNNMLVSNVQN-UHFFFAOYSA-N
Compound name
N-[1-(dipropylamino)-1-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]propan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.29913 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.30641 218.9
[M+Na]+ 488.28835 216.8
[M-H]- 464.29185 226.0
[M+NH4]+ 483.33295 226.0
[M+K]+ 504.26229 213.5
[M+H-H2O]+ 448.29639 207.1
[M+HCOO]- 510.29733 236.9
[M+CH3COO]- 524.31298 242.5
[M+Na-2H]- 486.27380 213.9
[M]+ 465.29858 219.5
[M]- 465.29968 219.5
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.