CID 72201045

Bc-1215

Structural Information

Molecular Formula
C26H26N4
SMILES
C1=CC=NC(=C1)C2=CC=C(C=C2)CNCCNCC3=CC=C(C=C3)C4=CC=CC=N4
InChI
InChI=1S/C26H26N4/c1-3-15-29-25(5-1)23-11-7-21(8-12-23)19-27-17-18-28-20-22-9-13-24(14-10-22)26-6-2-4-16-30-26/h1-16,27-28H,17-20H2
InChIKey
IXEPQJQQSLMESJ-UHFFFAOYSA-N
Compound name
N,N'-bis[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

36
Patents

394.21576 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.22304 196.0
[M+Na]+ 417.20498 199.9
[M-H]- 393.20848 204.5
[M+NH4]+ 412.24958 202.4
[M+K]+ 433.17892 191.1
[M+H-H2O]+ 377.21302 182.5
[M+HCOO]- 439.21396 217.7
[M+CH3COO]- 453.22961 203.6
[M+Na-2H]- 415.19043 202.7
[M]+ 394.21521 193.8
[M]- 394.21631 193.8
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