CID 3069539

Brn 4453447

Structural Information

Molecular Formula
C16H22N4
SMILES
CN1CCCC1=NC2=CC=CC=C2N=C3CCCN3C
InChI
InChI=1S/C16H22N4/c1-19-11-5-9-15(19)17-13-7-3-4-8-14(13)18-16-10-6-12-20(16)2/h3-4,7-8H,5-6,9-12H2,1-2H3
InChIKey
YAURDIKAZMGSPG-UHFFFAOYSA-N
Compound name
1-methyl-N-[2-[(1-methylpyrrolidin-2-ylidene)amino]phenyl]pyrrolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.18445 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19173 164.8
[M+Na]+ 293.17367 170.1
[M-H]- 269.17717 174.2
[M+NH4]+ 288.21827 182.5
[M+K]+ 309.14761 166.7
[M+H-H2O]+ 253.18171 154.8
[M+HCOO]- 315.18265 188.6
[M+CH3COO]- 329.19830 176.3
[M+Na-2H]- 291.15912 164.5
[M]+ 270.18390 161.0
[M]- 270.18500 161.0
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.