CID 18320

N,n'-bis(1,4-dimethylpentyl)-p-phenylenediamine

Structural Information

Molecular Formula
C20H36N2
SMILES
CC(C)CCC(C)NC1=CC=C(C=C1)NC(C)CCC(C)C
InChI
InChI=1S/C20H36N2/c1-15(2)7-9-17(5)21-19-11-13-20(14-12-19)22-18(6)10-8-16(3)4/h11-18,21-22H,7-10H2,1-6H3
InChIKey
ZJNLYGOUHDJHMG-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12409
Patents

304.28784 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.29512 184.3
[M+Na]+ 327.27706 185.2
[M-H]- 303.28056 186.3
[M+NH4]+ 322.32166 198.6
[M+K]+ 343.25100 182.6
[M+H-H2O]+ 287.28510 176.4
[M+HCOO]- 349.28604 203.1
[M+CH3COO]- 363.30169 218.9
[M+Na-2H]- 325.26251 181.3
[M]+ 304.28729 184.5
[M]- 304.28839 184.5
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