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

47
Patents

366.3035 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.310776 198.5
[M+Na]+ 389.292718 203.1
[M-H]- 365.296224 204.2
[M+NH4]+ 384.337323 210.8
[M+K]+ 405.266658 198.6
[M+H-H2O]+ 349.300760 190.5
[M+HCOO]- 411.301701 215.7
[M+CH3COO]- 425.317351 234.5
[M+Na-2H]- 387.278166 190.1
[M]+ 366.30295142 198.0
[M]- 366.30404858 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