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]+ 300.14548 170.0
[M+Na]+ 322.12742 176.6
[M-H]- 298.13092 174.0
[M+NH4]+ 317.17202 177.2
[M+K]+ 338.10136 173.7
[M+H-H2O]+ 282.13546 157.4
[M+HCOO]- 344.13640 181.5
[M+CH3COO]- 358.15205 178.8
[M+Na-2H]- 320.11287 173.9
[M]+ 299.13765 167.5
[M]- 299.13875 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.