CID 3023309

94022-25-0

Structural Information

Molecular Formula
C29H38N2O3
SMILES
CC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)N)O)C(C)(C)C
InChI
InChI=1S/C29H38N2O3/c1-28(2,3)19-13-14-25(23(17-19)29(4,5)6)34-16-10-9-15-31-27(33)22-18-24(30)20-11-7-8-12-21(20)26(22)32/h7-8,11-14,17-18,32H,9-10,15-16,30H2,1-6H3,(H,31,33)
InChIKey
QPKGVCZMJWKEHI-UHFFFAOYSA-N
Compound name
4-amino-N-[4-(2,4-ditert-butylphenoxy)butyl]-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.28824 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.29552 220.3
[M+Na]+ 485.27746 224.2
[M-H]- 461.28096 225.4
[M+NH4]+ 480.32206 228.7
[M+K]+ 501.25140 219.4
[M+H-H2O]+ 445.28550 211.4
[M+HCOO]- 507.28644 235.4
[M+CH3COO]- 521.30209 242.9
[M+Na-2H]- 483.26291 220.6
[M]+ 462.28769 222.6
[M]- 462.28879 222.6
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.