CID 3069543

Brn 4486852

Structural Information

Molecular Formula
C16H22N4
SMILES
CN1CCCC1=NC2=CC(=CC=C2)N=C3CCCN3C
InChI
InChI=1S/C16H22N4/c1-19-10-4-8-15(19)17-13-6-3-7-14(12-13)18-16-9-5-11-20(16)2/h3,6-7,12H,4-5,8-11H2,1-2H3
InChIKey
KJNHNJGVCPCWJM-UHFFFAOYSA-N
Compound name
1-methyl-N-[3-[(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]+ 271.191726 164.8
[M+Na]+ 293.173668 170.1
[M-H]- 269.177174 174.2
[M+NH4]+ 288.218273 182.5
[M+K]+ 309.147608 166.7
[M+H-H2O]+ 253.181710 154.8
[M+HCOO]- 315.182651 188.6
[M+CH3COO]- 329.198301 176.3
[M+Na-2H]- 291.159116 164.5
[M]+ 270.18390142 161.0
[M]- 270.18499858 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.