CID 9574201

4me4quinoline-nhn=ch-r deriv.

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC1=CC(=NC2=CC=CC=C12)N/N=C/C3=C(C=CO3)CO
InChI
InChI=1S/C16H15N3O2/c1-11-8-16(18-14-5-3-2-4-13(11)14)19-17-9-15-12(10-20)6-7-21-15/h2-9,20H,10H2,1H3,(H,18,19)/b17-9+
InChIKey
HJLCXPXWRSSGPQ-RQZCQDPDSA-N
Compound name
[2-[(E)-[(4-methylquinolin-2-yl)hydrazinylidene]methyl]furan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.11642 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 162.7
[M+Na]+ 304.10564 172.2
[M-H]- 280.10914 170.7
[M+NH4]+ 299.15024 178.5
[M+K]+ 320.07958 168.3
[M+H-H2O]+ 264.11368 154.3
[M+HCOO]- 326.11462 188.9
[M+CH3COO]- 340.13027 175.6
[M+Na-2H]- 302.09109 170.6
[M]+ 281.11587 166.5
[M]- 281.11697 166.5
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.