CID 3734703

6246-98-6

Structural Information

Molecular Formula
C18H14N2
SMILES
C1=CC=C(C=C1)N=C2C=CC(=NC3=CC=CC=C3)C=C2
InChI
InChI=1S/C18H14N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H
InChIKey
QLSPXVTVRFSANN-UHFFFAOYSA-N
Compound name
1-N,4-N-diphenylcyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

154
Patents

258.1157 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12298 158.4
[M+Na]+ 281.10492 164.4
[M-H]- 257.10842 170.1
[M+NH4]+ 276.14952 175.0
[M+K]+ 297.07886 159.4
[M+H-H2O]+ 241.11296 148.6
[M+HCOO]- 303.11390 186.7
[M+CH3COO]- 317.12955 171.0
[M+Na-2H]- 279.09037 166.7
[M]+ 258.11515 155.8
[M]- 258.11625 155.8
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