CID 135801359

Einecs 272-160-1

Structural Information

Molecular Formula
C22H22N2O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N/N=C\C2=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)/b23-14-
InChIKey
QSEQSUVWYBZMLJ-UCQKPKSFSA-N
Compound name
4-tert-butyl-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
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

literature stripe

Patent stripe

patents stripe