CID 94138

139-60-6

Structural Information

Molecular Formula
C22H40N2
SMILES
CCC(C)CC(CC)NC1=CC=C(C=C1)NC(CC)CC(C)CC
InChI
InChI=1S/C22H40N2/c1-7-17(5)15-19(9-3)23-21-11-13-22(14-12-21)24-20(10-4)16-18(6)8-2/h11-14,17-20,23-24H,7-10,15-16H2,1-6H3
InChIKey
JUHXTONDLXIGGK-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(5-methylheptan-3-yl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6536
Patents

332.31915 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.32643 192.1
[M+Na]+ 355.30837 199.7
[M+NH4]+ 350.35297 198.5
[M+K]+ 371.28231 192.7
[M-H]- 331.31187 194.6
[M+Na-2H]- 353.29382 195.0
[M]+ 332.31860 193.6
[M]- 332.31970 193.6
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