CID 172643733

Dbp-cortho-c'ortho-c8c8

Structural Information

Molecular Formula
C42H63NO
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)NC2=C(C=C(C=C2)C(C)(C)CC(C)(C)C)C3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C42H63NO/c1-37(2,3)26-41(13,14)28-17-20-31(21-18-28)43-35-22-19-29(42(15,16)27-38(4,5)6)23-32(35)33-24-30(39(7,8)9)25-34(36(33)44)40(10,11)12/h17-25,43-44H,26-27H2,1-16H3
InChIKey
HTFVVAMALMQEFW-UHFFFAOYSA-N
Compound name
2,4-ditert-butyl-6-[5-(2,4,4-trimethylpentan-2-yl)-2-[4-(2,4,4-trimethylpentan-2-yl)anilino]phenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

597.49097 Da
Monoisotopic Mass

14.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 598.49825 262.9
[M+Na]+ 620.48019 273.1
[M+NH4]+ 615.52479 267.0
[M+K]+ 636.45413 266.7
[M-H]- 596.48369 266.6
[M+Na-2H]- 618.46564 268.7
[M]+ 597.49042 266.1
[M]- 597.49152 266.1
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.