CID 26735

14549-76-9

Structural Information

Molecular Formula
C19H26N4
SMILES
C1CN(CCN(C1)CCC2=CC=CC=N2)CCC3=CC=CC=N3
InChI
InChI=1S/C19H26N4/c1-3-10-20-18(6-1)8-14-22-12-5-13-23(17-16-22)15-9-19-7-2-4-11-21-19/h1-4,6-7,10-11H,5,8-9,12-17H2
InChIKey
MRJAQCRGHRRVGK-UHFFFAOYSA-N
Compound name
1,4-bis(2-pyridin-2-ylethyl)-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.21576 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.22304 177.0
[M+Na]+ 333.20498 179.8
[M-H]- 309.20848 180.2
[M+NH4]+ 328.24958 184.5
[M+K]+ 349.17892 177.9
[M+H-H2O]+ 293.21302 163.5
[M+HCOO]- 355.21396 190.7
[M+CH3COO]- 369.22961 184.1
[M+Na-2H]- 331.19043 180.5
[M]+ 310.21521 170.1
[M]- 310.21631 170.1
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.