CID 88307

4,4'-methylenebis(2,6-diisopropylaniline)

Structural Information

Molecular Formula
C25H38N2
SMILES
CC(C)C1=CC(=CC(=C1N)C(C)C)CC2=CC(=C(C(=C2)C(C)C)N)C(C)C
InChI
InChI=1S/C25H38N2/c1-14(2)20-10-18(11-21(15(3)4)24(20)26)9-19-12-22(16(5)6)25(27)23(13-19)17(7)8/h10-17H,9,26-27H2,1-8H3
InChIKey
KZTROCYBPMKGAW-UHFFFAOYSA-N
Compound name
4-[[4-amino-3,5-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5076
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

literature stripe

Patent stripe

patents stripe