CID 472891

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

Structural Information

Molecular Formula
C20H29N5O3
SMILES
CC1(OC(C(O1)C(CN2CCN(CC2)C)O)C3=NN(N=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C20H29N5O3/c1-20(2)27-18(16-13-21-25(22-16)15-7-5-4-6-8-15)19(28-20)17(26)14-24-11-9-23(3)10-12-24/h4-8,13,17-19,26H,9-12,14H2,1-3H3
InChIKey
CHWPPRLWMDELCO-UHFFFAOYSA-N
Compound name
1-[2,2-dimethyl-5-(2-phenyltriazol-4-yl)-1,3-dioxolan-4-yl]-2-(4-methylpiperazin-1-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.22705 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.23433 192.9
[M+Na]+ 410.21627 197.9
[M-H]- 386.21977 198.9
[M+NH4]+ 405.26087 199.0
[M+K]+ 426.19021 195.7
[M+H-H2O]+ 370.22431 181.7
[M+HCOO]- 432.22525 201.8
[M+CH3COO]- 446.24090 200.2
[M+Na-2H]- 408.20172 188.4
[M]+ 387.22650 190.8
[M]- 387.22760 190.8
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

No patent data available for this compound.