CID 3073524

N-(hexahydro-1,2-dimethyl-4-pyridazinyl)-n-phenylbenzamide hydrochloride

Structural Information

Molecular Formula
C19H23N3O
SMILES
CN1CCC(CN1C)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H23N3O/c1-20-14-13-18(15-21(20)2)22(17-11-7-4-8-12-17)19(23)16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3
InChIKey
QGXFAXQJFRUYTM-UHFFFAOYSA-N
Compound name
N-(1,2-dimethyldiazinan-4-yl)-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1841 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19138 175.3
[M+Na]+ 332.17332 178.9
[M-H]- 308.17682 182.4
[M+NH4]+ 327.21792 186.6
[M+K]+ 348.14726 175.1
[M+H-H2O]+ 292.18136 163.9
[M+HCOO]- 354.18230 193.1
[M+CH3COO]- 368.19795 211.2
[M+Na-2H]- 330.15877 177.4
[M]+ 309.18355 171.3
[M]- 309.18465 171.3
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.