CID 212733

24796-57-4

Structural Information

Molecular Formula
C19H22N5O
SMILES
C1CN(C(CN1CC2=CC=CC=C2)C3=CC=CC=C3)[N+]4=NOC=C4N
InChI
InChI=1S/C19H22N5O/c20-19-15-25-21-24(19)23-12-11-22(13-16-7-3-1-4-8-16)14-18(23)17-9-5-2-6-10-17/h1-10,15,18H,11-14,20H2/q+1
InChIKey
SJTHXDXNHQMHIM-UHFFFAOYSA-N
Compound name
3-(4-benzyl-2-phenylpiperazin-1-yl)oxadiazol-3-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18243 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.18971 182.7
[M+Na]+ 359.17165 188.0
[M-H]- 335.17515 190.0
[M+NH4]+ 354.21625 189.3
[M+K]+ 375.14559 176.9
[M+H-H2O]+ 319.17969 172.3
[M+HCOO]- 381.18063 198.1
[M+CH3COO]- 395.19628 190.8
[M+Na-2H]- 357.15710 187.0
[M]+ 336.18188 176.9
[M]- 336.18298 176.9
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.