CID 3069540

Brn 4500349

Structural Information

Molecular Formula
C22H34N4
SMILES
CCCCN1CCCC1=NC2=CC=CC=C2N=C3CCCN3CCCC
InChI
InChI=1S/C22H34N4/c1-3-5-15-25-17-9-13-21(25)23-19-11-7-8-12-20(19)24-22-14-10-18-26(22)16-6-4-2/h7-8,11-12H,3-6,9-10,13-18H2,1-2H3
InChIKey
UGZQDYVVTWHIMG-UHFFFAOYSA-N
Compound name
1-butyl-N-[2-[(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 191.0
[M+Na]+ 377.26757 193.5
[M-H]- 353.27107 199.1
[M+NH4]+ 372.31217 205.2
[M+K]+ 393.24151 188.7
[M+H-H2O]+ 337.27561 179.7
[M+HCOO]- 399.27655 212.6
[M+CH3COO]- 413.29220 223.7
[M+Na-2H]- 375.25302 187.5
[M]+ 354.27780 189.1
[M]- 354.27890 189.1
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.