CID 9588913

157596-04-8

Structural Information

Molecular Formula
C22H29N3O3
SMILES
C1C/C(=N/OCC(CN2CCN(CC2)CCO)O)/C3=C1C4=CC=CC=C4C=C3
InChI
InChI=1S/C22H29N3O3/c26-14-13-24-9-11-25(12-10-24)15-18(27)16-28-23-22-8-7-20-19-4-2-1-3-17(19)5-6-21(20)22/h1-6,18,26-27H,7-16H2/b23-22-
InChIKey
KCSLJVXCHLQDES-FCQUAONHSA-N
Compound name
1-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.2209 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22818 191.3
[M+Na]+ 406.21012 193.7
[M-H]- 382.21362 193.8
[M+NH4]+ 401.25472 202.3
[M+K]+ 422.18406 188.2
[M+H-H2O]+ 366.21816 181.2
[M+HCOO]- 428.21910 203.9
[M+CH3COO]- 442.23475 198.0
[M+Na-2H]- 404.19557 191.6
[M]+ 383.22035 188.1
[M]- 383.22145 188.1
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.