CID 102490

1,4-benzenediamine, n-(1-methylpropyl)-n'-phenyl-

Structural Information

Molecular Formula
C16H20N2
SMILES
CCC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C16H20N2/c1-3-13(2)17-15-9-11-16(12-10-15)18-14-7-5-4-6-8-14/h4-13,17-18H,3H2,1-2H3
InChIKey
LIAVGCGPNJLGQT-UHFFFAOYSA-N
Compound name
4-N-butan-2-yl-1-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

313
Patents

240.16264 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 156.6
[M+Na]+ 263.15186 161.3
[M-H]- 239.15536 162.8
[M+NH4]+ 258.19646 173.3
[M+K]+ 279.12580 157.3
[M+H-H2O]+ 223.15990 148.5
[M+HCOO]- 285.16084 181.4
[M+CH3COO]- 299.17649 199.8
[M+Na-2H]- 261.13731 162.5
[M]+ 240.16209 154.8
[M]- 240.16319 154.8
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