CID 159786

4,4'-methylenebis(2-isopropyl-6-methylaniline)

Structural Information

Molecular Formula
C21H30N2
SMILES
CC1=CC(=CC(=C1N)C(C)C)CC2=CC(=C(C(=C2)C)N)C(C)C
InChI
InChI=1S/C21H30N2/c1-12(2)18-10-16(7-14(5)20(18)22)9-17-8-15(6)21(23)19(11-17)13(3)4/h7-8,10-13H,9,22-23H2,1-6H3
InChIKey
FLNVGZMDLLIECD-UHFFFAOYSA-N
Compound name
4-[(4-amino-3-methyl-5-propan-2-ylphenyl)methyl]-2-methyl-6-propan-2-ylaniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2415
Patents

310.2409 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24818 181.1
[M+Na]+ 333.23012 188.0
[M-H]- 309.23362 187.4
[M+NH4]+ 328.27472 195.9
[M+K]+ 349.20406 183.2
[M+H-H2O]+ 293.23816 173.4
[M+HCOO]- 355.23910 201.7
[M+CH3COO]- 369.25475 220.7
[M+Na-2H]- 331.21557 177.1
[M]+ 310.24035 180.4
[M]- 310.24145 180.4
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

patents stripe