CID 6410630

4-(1-piperazinyl)-1h-benzotriazole dihydrochloride

Structural Information

Molecular Formula
C10H13N5
SMILES
C1CN(CCN1)C2=CC=CC3=NNN=C32
InChI
InChI=1S/C10H13N5/c1-2-8-10(13-14-12-8)9(3-1)15-6-4-11-5-7-15/h1-3,11H,4-7H2,(H,12,13,14)
InChIKey
RZCRWQZFNQEANZ-UHFFFAOYSA-N
Compound name
4-piperazin-1-yl-2H-benzotriazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

203.1171 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12438 145.1
[M+Na]+ 226.10632 158.1
[M+NH4]+ 221.15092 152.3
[M+K]+ 242.08026 153.6
[M-H]- 202.10982 145.9
[M+Na-2H]- 224.09177 151.8
[M]+ 203.11655 146.9
[M]- 203.11765 146.9
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