CID 118326

Einecs 253-036-6

Structural Information

Molecular Formula
C31H41NO3
SMILES
CCCC(NC(=O)C1=C(C2=CC=CC=C2C=C1)O)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C31H41NO3/c1-8-13-27(32-29(34)24-18-16-21-14-11-12-15-23(21)28(24)33)35-26-19-17-22(30(4,5)9-2)20-25(26)31(6,7)10-3/h11-12,14-20,27,33H,8-10,13H2,1-7H3,(H,32,34)
InChIKey
YXKKRVMSBXTGPM-UHFFFAOYSA-N
Compound name
N-[1-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

475.30865 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.315926 223.5
[M+Na]+ 498.297868 226.1
[M-H]- 474.301374 228.3
[M+NH4]+ 493.342473 231.4
[M+K]+ 514.271808 221.4
[M+H-H2O]+ 458.305910 214.5
[M+HCOO]- 520.306851 236.5
[M+CH3COO]- 534.322501 244.7
[M+Na-2H]- 496.283316 222.8
[M]+ 475.30810142 227.3
[M]- 475.30919858 227.3
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

patents stripe