CID 3033538

Dapiprazole

Structural Information

Molecular Formula
C19H27N5
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCC3=NN=C4N3CCCC4
InChI
InChI=1S/C19H27N5/c1-16-6-2-3-7-17(16)23-14-12-22(13-15-23)11-9-19-21-20-18-8-4-5-10-24(18)19/h2-3,6-7H,4-5,8-15H2,1H3
InChIKey
RFWZESUMWJKKRN-UHFFFAOYSA-N
Compound name
3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

87
References

4326
Patents

325.22665 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.23393 183.0
[M+Na]+ 348.21587 196.2
[M+NH4]+ 343.26047 190.4
[M+K]+ 364.18981 189.5
[M-H]- 324.21937 186.8
[M+Na-2H]- 346.20132 189.3
[M]+ 325.22610 185.8
[M]- 325.22720 185.8
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

patents stripe