CID 3022198

93762-06-2

Structural Information

Molecular Formula
C17H22N2O
SMILES
C1COCCN1CCCNC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H22N2O/c1-2-5-16-14-17(7-6-15(16)4-1)18-8-3-9-19-10-12-20-13-11-19/h1-2,4-7,14,18H,3,8-13H2
InChIKey
ZINOQNYPQHETBN-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)naphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

270.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.180496 163.2
[M+Na]+ 293.162438 166.9
[M-H]- 269.165944 168.3
[M+NH4]+ 288.207043 176.8
[M+K]+ 309.136378 163.4
[M+H-H2O]+ 253.170480 153.6
[M+HCOO]- 315.171421 180.9
[M+CH3COO]- 329.187071 173.1
[M+Na-2H]- 291.147886 170.2
[M]+ 270.17267142 159.8
[M]- 270.17376858 159.8
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

patents stripe