CID 44104

Pirogliride

Structural Information

Molecular Formula
C16H22N4
SMILES
CN1CCCC1=NC(=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
InChIKey
UFJFKQGRZLHOBO-UHFFFAOYSA-N
Compound name
N-(1-methylpyrrolidin-2-ylidene)-N'-phenylpyrrolidine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

114
Patents

270.18445 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.191726 165.3
[M+Na]+ 293.173668 168.5
[M-H]- 269.177174 174.1
[M+NH4]+ 288.218273 182.5
[M+K]+ 309.147608 165.8
[M+H-H2O]+ 253.181710 154.8
[M+HCOO]- 315.182651 188.1
[M+CH3COO]- 329.198301 176.0
[M+Na-2H]- 291.159116 165.3
[M]+ 270.18390142 159.9
[M]- 270.18499858 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

literature stripe

Patent stripe

patents stripe