CID 3292666

87498-51-9

Structural Information

Molecular Formula
C21H21NO
SMILES
CCCCC1=CC=C(C=C1)N=CC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C21H21NO/c1-2-3-6-16-9-12-18(13-10-16)22-15-20-19-8-5-4-7-17(19)11-14-21(20)23/h4-5,7-15,23H,2-3,6H2,1H3
InChIKey
NEOBOZTUWRXBGD-UHFFFAOYSA-N
Compound name
1-[(4-butylphenyl)iminomethyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16232 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 173.1
[M+Na]+ 326.15154 180.2
[M-H]- 302.15504 180.3
[M+NH4]+ 321.19614 188.9
[M+K]+ 342.12548 174.0
[M+H-H2O]+ 286.15958 164.3
[M+HCOO]- 348.16052 196.2
[M+CH3COO]- 362.17617 209.5
[M+Na-2H]- 324.13699 178.7
[M]+ 303.16177 174.3
[M]- 303.16287 174.3
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.