CID 172643732

Bha-cortho-c'para-6ppd

Structural Information

Molecular Formula
C29H38N2O2
SMILES
CC(C)CC(C)NC1=CC=C(C=C1)NC2=CC=C(C=C2)C3=C(C(=CC(=C3)OC)C(C)(C)C)O
InChI
InChI=1S/C29H38N2O2/c1-19(2)16-20(3)30-22-12-14-24(15-13-22)31-23-10-8-21(9-11-23)26-17-25(33-7)18-27(28(26)32)29(4,5)6/h8-15,17-20,30-32H,16H2,1-7H3
InChIKey
HJGBJGUUFRRATC-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-methoxy-6-[4-[4-(4-methylpentan-2-ylamino)anilino]phenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

446.29333 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.300606 215.6
[M+Na]+ 469.282548 218.7
[M-H]- 445.286054 223.4
[M+NH4]+ 464.327153 223.5
[M+K]+ 485.256488 213.7
[M+H-H2O]+ 429.290590 205.5
[M+HCOO]- 491.291531 233.2
[M+CH3COO]- 505.307181 241.8
[M+Na-2H]- 467.267996 213.6
[M]+ 446.29278142 216.9
[M]- 446.29387858 216.9
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

No patent data available for this compound.