CID 4552784

52870-43-6

Structural Information

Molecular Formula
C15H16N2
SMILES
CC(C)N=C1C=CC(=NC2=CC=CC=C2)C=C1
InChI
InChI=1S/C15H16N2/c1-12(2)16-14-8-10-15(11-9-14)17-13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKey
CMLIIAXXSZLMPO-UHFFFAOYSA-N
Compound name
1-N-phenyl-4-N-propan-2-ylcyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

224.13135 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13863 153.3
[M+Na]+ 247.12057 166.8
[M+NH4]+ 242.16517 162.8
[M+K]+ 263.09451 157.9
[M-H]- 223.12407 160.1
[M+Na-2H]- 245.10602 163.6
[M]+ 224.13080 157.1
[M]- 224.13190 157.1
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