CID 26736

14549-77-0

Structural Information

Molecular Formula
C19H26N4
SMILES
C1CN(CCN(C1)CCC2=CC=NC=C2)CCC3=CC=NC=C3
InChI
InChI=1S/C19H26N4/c1-12-22(14-6-18-2-8-20-9-3-18)16-17-23(13-1)15-7-19-4-10-21-11-5-19/h2-5,8-11H,1,6-7,12-17H2
InChIKey
MDJKIZPTSDZVNQ-UHFFFAOYSA-N
Compound name
1,4-bis(2-pyridin-4-ylethyl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.21576 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.22304 180.1
[M+Na]+ 333.20498 192.1
[M+NH4]+ 328.24958 186.5
[M+K]+ 349.17892 184.5
[M-H]- 309.20848 184.1
[M+Na-2H]- 331.19043 188.7
[M]+ 310.21521 183.0
[M]- 310.21631 183.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.