CID 208945

Etoprindole

Structural Information

Molecular Formula
C15H21N3O
SMILES
CCC(=NO)C1=CN(C2=CC=CC=C21)CCN(C)C
InChI
InChI=1S/C15H21N3O/c1-4-14(16-19)13-11-18(10-9-17(2)3)15-8-6-5-7-12(13)15/h5-8,11,19H,4,9-10H2,1-3H3
InChIKey
PNWRDBWQKOXCMK-UHFFFAOYSA-N
Compound name
N-[1-[1-[2-(dimethylamino)ethyl]indol-3-yl]propylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.175736 161.8
[M+Na]+ 282.157678 169.1
[M-H]- 258.161184 166.7
[M+NH4]+ 277.202283 180.6
[M+K]+ 298.131618 166.6
[M+H-H2O]+ 242.165720 153.9
[M+HCOO]- 304.166661 187.1
[M+CH3COO]- 318.182311 206.0
[M+Na-2H]- 280.143126 165.9
[M]+ 259.16791142 165.9
[M]- 259.16900858 165.9
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.