CID 9588183

72606-48-5

Structural Information

Molecular Formula
C18H22N4O
SMILES
CN1CCN(CC1)CC(=O)N/N=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H22N4O/c1-21-9-11-22(12-10-21)14-18(23)20-19-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,13H,9-12,14H2,1H3,(H,20,23)/b19-13+
InChIKey
QWMFUGWECVGIDB-CPNJWEJPSA-N
Compound name
2-(4-methylpiperazin-1-yl)-N-[(E)-naphthalen-1-ylmethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.17935 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18663 173.8
[M+Na]+ 333.16857 177.8
[M-H]- 309.17207 178.5
[M+NH4]+ 328.21317 186.2
[M+K]+ 349.14251 173.1
[M+H-H2O]+ 293.17661 163.0
[M+HCOO]- 355.17755 192.7
[M+CH3COO]- 369.19320 212.7
[M+Na-2H]- 331.15402 178.9
[M]+ 310.17880 170.1
[M]- 310.17990 170.1
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.