CID 117931

Brn 0417939

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1=CC=C(C=C1)N(CCO)CC2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C18H18N2O/c21-13-12-20(17-7-2-1-3-8-17)14-16-11-10-15-6-4-5-9-18(15)19-16/h1-11,21H,12-14H2
InChIKey
UZSOAEWQSFKJHC-UHFFFAOYSA-N
Compound name
2-[N-(quinolin-2-ylmethyl)anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.14918 164.3
[M+Na]+ 301.13112 170.2
[M-H]- 277.13462 169.9
[M+NH4]+ 296.17572 179.0
[M+K]+ 317.10506 165.3
[M+H-H2O]+ 261.13916 154.8
[M+HCOO]- 323.14010 186.0
[M+CH3COO]- 337.15575 175.2
[M+Na-2H]- 299.11657 172.1
[M]+ 278.14135 164.3
[M]- 278.14245 164.3
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.