CID 472888

1-[2,2-dimethyl-5-(2-phenyltriazol-4-yl)-1,3-dioxolan-4-yl]-2-pyrrolidin-1-yl-ethanol

Structural Information

Molecular Formula
C19H26N4O3
SMILES
CC1(OC(C(O1)C(CN2CCCC2)O)C3=NN(N=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C19H26N4O3/c1-19(2)25-17(18(26-19)16(24)13-22-10-6-7-11-22)15-12-20-23(21-15)14-8-4-3-5-9-14/h3-5,8-9,12,16-18,24H,6-7,10-11,13H2,1-2H3
InChIKey
SGQZKCXIMOMACG-UHFFFAOYSA-N
Compound name
1-[2,2-dimethyl-5-(2-phenyltriazol-4-yl)-1,3-dioxolan-4-yl]-2-pyrrolidin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.2005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.20778 181.6
[M+Na]+ 381.18972 186.8
[M-H]- 357.19322 189.6
[M+NH4]+ 376.23432 192.0
[M+K]+ 397.16366 185.7
[M+H-H2O]+ 341.19776 172.6
[M+HCOO]- 403.19870 194.7
[M+CH3COO]- 417.21435 190.7
[M+Na-2H]- 379.17517 177.0
[M]+ 358.19995 180.8
[M]- 358.20105 180.8
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.