CID 5748737

N-heptanoyl-n',n'-di-sec-butyl-p-phenylenediamine

Structural Information

Molecular Formula
C21H36N2O
SMILES
CCCCCCC(=O)NC1=CC=C(C=C1)N([C@H](C)CC)[C@H](C)CC
InChI
InChI=1S/C21H36N2O/c1-6-9-10-11-12-21(24)22-19-13-15-20(16-14-19)23(17(4)7-2)18(5)8-3/h13-18H,6-12H2,1-5H3,(H,22,24)/t17-,18-/m1/s1
InChIKey
XCUBRVVJLABQLN-QZTJIDSGSA-N
Compound name
N-[4-[bis[(2R)-butan-2-yl]amino]phenyl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.28278 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.29006 189.0
[M+Na]+ 355.27200 197.0
[M+NH4]+ 350.31660 195.1
[M+K]+ 371.24594 190.4
[M-H]- 331.27550 191.3
[M+Na-2H]- 353.25745 192.2
[M]+ 332.28223 190.5
[M]- 332.28333 190.5
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

No patent data available for this compound.