CID 18331

3085-82-3

Structural Information

Molecular Formula
C15H18N2
SMILES
CC(C)N(C1=CC=CC=C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C15H18N2/c1-12(2)17(14-6-4-3-5-7-14)15-10-8-13(16)9-11-15/h3-12H,16H2,1-2H3
InChIKey
VRKQEIXDEZVPSY-UHFFFAOYSA-N
Compound name
4-N-phenyl-4-N-propan-2-ylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

64
References

2292
Patents

226.147 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15428 153.1
[M+Na]+ 249.13622 158.4
[M-H]- 225.13972 160.5
[M+NH4]+ 244.18082 170.8
[M+K]+ 265.11016 155.7
[M+H-H2O]+ 209.14426 145.1
[M+HCOO]- 271.14520 178.1
[M+CH3COO]- 285.16085 199.6
[M+Na-2H]- 247.12167 157.6
[M]+ 226.14645 151.2
[M]- 226.14755 151.2
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