CID 6444319

Chembl2110986

Structural Information

Molecular Formula
C16H22N4
SMILES
CN\1CCC/C1=N\C(=NC2=CC=CC=C2)N3CCCC3
InChI
InChI=1S/C16H22N4/c1-19-11-7-10-15(19)18-16(20-12-5-6-13-20)17-14-8-3-2-4-9-14/h2-4,8-9H,5-7,10-13H2,1H3/b17-16?,18-15+
InChIKey
UFJFKQGRZLHOBO-GLECISQGSA-N
Compound name
(NE)-N-(1-methylpyrrolidin-2-ylidene)-N'-phenylpyrrolidine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.18445 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19173 165.3
[M+Na]+ 293.17367 168.5
[M-H]- 269.17717 174.1
[M+NH4]+ 288.21827 182.5
[M+K]+ 309.14761 165.8
[M+H-H2O]+ 253.18171 154.8
[M+HCOO]- 315.18265 188.1
[M+CH3COO]- 329.19830 176.0
[M+Na-2H]- 291.15912 165.3
[M]+ 270.18390 159.9
[M]- 270.18500 159.9
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.