CID 210542

S-triazine, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride

Structural Information

Molecular Formula
C15H17N5O2
SMILES
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC=N4
InChI
InChI=1S/C15H17N5O2/c1-2-13-14(22-11-21-13)7-12(1)8-19-3-5-20(6-4-19)15-17-9-16-10-18-15/h1-2,7,9-10H,3-6,8,11H2
InChIKey
QHKCTOWVBRTZPH-UHFFFAOYSA-N
Compound name
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,3,5-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1382 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.145476 170.0
[M+Na]+ 322.127418 176.6
[M-H]- 298.130924 174.0
[M+NH4]+ 317.172023 177.2
[M+K]+ 338.101358 173.7
[M+H-H2O]+ 282.135460 157.4
[M+HCOO]- 344.136401 181.5
[M+CH3COO]- 358.152051 178.8
[M+Na-2H]- 320.112866 173.9
[M]+ 299.13765142 167.5
[M]- 299.13874858 167.5
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.