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

4413
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 183.7
[M+Na]+ 348.21587 188.3
[M-H]- 324.21937 185.8
[M+NH4]+ 343.26047 192.8
[M+K]+ 364.18981 181.6
[M+H-H2O]+ 308.22391 170.3
[M+HCOO]- 370.22485 194.0
[M+CH3COO]- 384.24050 190.6
[M+Na-2H]- 346.20132 183.3
[M]+ 325.22610 177.6
[M]- 325.22720 177.6
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.