CID 3086039

75790-85-1

Structural Information

Molecular Formula
C25H38N2
SMILES
CC(C)C1=CC(=CC(=C1CC2=C(C=C(C=C2C(C)C)N)C(C)C)C(C)C)N
InChI
InChI=1S/C25H38N2/c1-14(2)20-9-18(26)10-21(15(3)4)24(20)13-25-22(16(5)6)11-19(27)12-23(25)17(7)8/h9-12,14-17H,13,26-27H2,1-8H3
InChIKey
VVBKSDWNRJEBKV-UHFFFAOYSA-N
Compound name
4-[[4-amino-2,6-di(propan-2-yl)phenyl]methyl]-3,5-di(propan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

366.3035 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.31078 200.2
[M+Na]+ 389.29272 211.5
[M+NH4]+ 384.33732 207.1
[M+K]+ 405.26666 204.7
[M-H]- 365.29622 205.5
[M+Na-2H]- 387.27817 204.4
[M]+ 366.30295 203.3
[M]- 366.30405 203.3
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