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

12
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 171.1
[M+Na]+ 305.19882 175.1
[M-H]- 281.20232 177.2
[M+NH4]+ 300.24342 186.3
[M+K]+ 321.17276 171.0
[M+H-H2O]+ 265.20686 162.7
[M+HCOO]- 327.20780 193.8
[M+CH3COO]- 341.22345 210.9
[M+Na-2H]- 303.18427 173.3
[M]+ 282.20905 170.0
[M]- 282.21015 170.0
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