CID 85989

16364-15-1

Structural Information

Molecular Formula
C19H26N2
SMILES
CC1=CC=C(C=C1)NC2=CC=C(C=C2)NC(C)CC(C)C
InChI
InChI=1S/C19H26N2/c1-14(2)13-16(4)20-17-9-11-19(12-10-17)21-18-7-5-15(3)6-8-18/h5-12,14,16,20-21H,13H2,1-4H3
InChIKey
BRHHHNJIRNMRFM-UHFFFAOYSA-N
Compound name
4-N-(4-methylpentan-2-yl)-1-N-(4-methylphenyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

282.2096 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 172.5
[M+Na]+ 305.19882 184.9
[M+NH4]+ 300.24342 181.0
[M+K]+ 321.17276 176.6
[M-H]- 281.20232 178.6
[M+Na-2H]- 303.18427 181.0
[M]+ 282.20905 176.0
[M]- 282.21015 176.0
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