CID 326144

Nsc296321

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC1=CC(=NC2=C1C=CC3=CC=CC=C32)NCCO
InChI
InChI=1S/C16H16N2O/c1-11-10-15(17-8-9-19)18-16-13(11)7-6-12-4-2-3-5-14(12)16/h2-7,10,19H,8-9H2,1H3,(H,17,18)
InChIKey
MXDWELIQLLOVGM-UHFFFAOYSA-N
Compound name
2-[(4-methylbenzo[h]quinolin-2-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 155.8
[M+Na]+ 275.11549 165.5
[M-H]- 251.11899 159.1
[M+NH4]+ 270.16009 173.2
[M+K]+ 291.08943 159.6
[M+H-H2O]+ 235.12353 148.0
[M+HCOO]- 297.12447 177.5
[M+CH3COO]- 311.14012 168.0
[M+Na-2H]- 273.10094 165.6
[M]+ 252.12572 157.6
[M]- 252.12682 157.6
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.