CID 111577

68758-85-0

Structural Information

Molecular Formula
C22H22N2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NN=CC2=C(C=CC3=CC=CC=C32)O
InChI
InChI=1S/C22H22N2O2/c1-22(2,3)17-11-8-16(9-12-17)21(26)24-23-14-19-18-7-5-4-6-15(18)10-13-20(19)25/h4-14,25H,1-3H3,(H,24,26)
InChIKey
QSEQSUVWYBZMLJ-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

49
Patents

346.16812 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.17540 184.2
[M+Na]+ 369.15734 190.3
[M-H]- 345.16084 191.7
[M+NH4]+ 364.20194 197.9
[M+K]+ 385.13128 185.3
[M+H-H2O]+ 329.16538 175.6
[M+HCOO]- 391.16632 205.7
[M+CH3COO]- 405.18197 219.0
[M+Na-2H]- 367.14279 189.6
[M]+ 346.16757 184.6
[M]- 346.16867 184.6
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.