CID 75931

2716-12-3

Structural Information

Molecular Formula
C28H36N2
SMILES
CC1=CC(=CC(=C1N)C)C(C)(C)C2=CC=C(C=C2)C(C)(C)C3=CC(=C(C(=C3)C)N)C
InChI
InChI=1S/C28H36N2/c1-17-13-23(14-18(2)25(17)29)27(5,6)21-9-11-22(12-10-21)28(7,8)24-15-19(3)26(30)20(4)16-24/h9-16H,29-30H2,1-8H3
InChIKey
BTHNNXVDXOFTBP-UHFFFAOYSA-N
Compound name
4-[2-[4-[2-(4-amino-3,5-dimethylphenyl)propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

400.28784 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.29512 205.3
[M+Na]+ 423.27706 212.5
[M-H]- 399.28056 214.7
[M+NH4]+ 418.32166 216.3
[M+K]+ 439.25100 206.1
[M+H-H2O]+ 383.28510 196.4
[M+HCOO]- 445.28604 223.4
[M+CH3COO]- 459.30169 237.8
[M+Na-2H]- 421.26251 203.8
[M]+ 400.28729 205.0
[M]- 400.28839 205.0
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