CID 3045050

58131-42-3

Structural Information

Molecular Formula
C23H34N2O4
SMILES
CC(=O)OC(C1=CC=CC=C1)C(=O)OC(CC2CCCN2C)CC3CCCN3C
InChI
InChI=1S/C23H34N2O4/c1-17(26)28-22(18-9-5-4-6-10-18)23(27)29-21(15-19-11-7-13-24(19)2)16-20-12-8-14-25(20)3/h4-6,9-10,19-22H,7-8,11-16H2,1-3H3
InChIKey
NRGSQUUQZBWHJI-UHFFFAOYSA-N
Compound name
1,3-bis(1-methylpyrrolidin-2-yl)propan-2-yl 2-acetyloxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.25186 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.25914 201.2
[M+Na]+ 425.24108 201.4
[M-H]- 401.24458 206.8
[M+NH4]+ 420.28568 211.8
[M+K]+ 441.21502 199.5
[M+H-H2O]+ 385.24912 191.7
[M+HCOO]- 447.25006 214.3
[M+CH3COO]- 461.26571 222.2
[M+Na-2H]- 423.22653 192.1
[M]+ 402.25131 200.2
[M]- 402.25241 200.2
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

No patent data available for this compound.