CID 3069544

Brn 4548220

Structural Information

Molecular Formula
C22H34N4
SMILES
CCCCN1CCCC1=NC2=CC(=CC=C2)N=C3CCCN3CCCC
InChI
InChI=1S/C22H34N4/c1-3-5-14-25-16-8-12-21(25)23-19-10-7-11-20(18-19)24-22-13-9-17-26(22)15-6-4-2/h7,10-11,18H,3-6,8-9,12-17H2,1-2H3
InChIKey
NJEVMDDHXWUSBB-UHFFFAOYSA-N
Compound name
1-butyl-N-[3-[(1-butylpyrrolidin-2-ylidene)amino]phenyl]pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.27835 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.28563 193.0
[M+Na]+ 377.26757 201.8
[M+NH4]+ 372.31217 200.1
[M+K]+ 393.24151 196.4
[M-H]- 353.27107 198.4
[M+Na-2H]- 375.25302 198.3
[M]+ 354.27780 195.4
[M]- 354.27890 195.4
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.