CID 3086039

3,3',5,5'-tetraisopropyl-4,4'-methylenedianiline

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 198.5
[M+Na]+ 389.29272 203.1
[M-H]- 365.29622 204.2
[M+NH4]+ 384.33732 210.8
[M+K]+ 405.26666 198.6
[M+H-H2O]+ 349.30076 190.5
[M+HCOO]- 411.30170 215.7
[M+CH3COO]- 425.31735 234.5
[M+Na-2H]- 387.27817 190.1
[M]+ 366.30295 198.0
[M]- 366.30405 198.0
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