CID 17700

Pargeverine

Structural Information

Molecular Formula
C21H23NO3
SMILES
CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC#C
InChI
InChI=1S/C21H23NO3/c1-4-16-25-21(18-11-7-5-8-12-18,19-13-9-6-10-14-19)20(23)24-17-15-22(2)3/h1,5-14H,15-17H2,2-3H3
InChIKey
QNPHCSSJLHAKSA-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2,2-diphenyl-2-prop-2-ynoxyacetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

213
Patents

337.1678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.175076 188.0
[M+Na]+ 360.157018 194.2
[M-H]- 336.160524 192.1
[M+NH4]+ 355.201623 199.2
[M+K]+ 376.130958 189.2
[M+H-H2O]+ 320.165060 173.0
[M+HCOO]- 382.166001 203.7
[M+CH3COO]- 396.181651 219.8
[M+Na-2H]- 358.142466 189.6
[M]+ 337.16725142 185.3
[M]- 337.16834858 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe