CID 7573

101-72-4

Structural Information

Molecular Formula
C15H18N2
SMILES
CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2
InChI
InChI=1S/C15H18N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12,16-17H,1-2H3
InChIKey
OUBMGJOQLXMSNT-UHFFFAOYSA-N
Compound name
1-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

79
References

27361
Patents

226.147 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.154276 152.1
[M+Na]+ 249.136218 157.2
[M-H]- 225.139724 158.5
[M+NH4]+ 244.180823 169.3
[M+K]+ 265.110158 153.4
[M+H-H2O]+ 209.144260 144.2
[M+HCOO]- 271.145201 177.2
[M+CH3COO]- 285.160851 196.8
[M+Na-2H]- 247.121666 158.5
[M]+ 226.14645142 149.9
[M]- 226.14754858 149.9
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