CID 3077649

Propanedinitrile, ((methylamino)((2-(((5-(1-pyrrolidinylmethyl)-2-furanyl)methyl)amino)ethyl)amino)methylene)-

Structural Information

Molecular Formula
C17H24N6O
SMILES
CNC(=C(C#N)C#N)NCCNCC1=CC=C(O1)CN2CCCC2
InChI
InChI=1S/C17H24N6O/c1-20-17(14(10-18)11-19)22-7-6-21-12-15-4-5-16(24-15)13-23-8-2-3-9-23/h4-5,20-22H,2-3,6-9,12-13H2,1H3
InChIKey
GVHHPMZWUWYOJH-UHFFFAOYSA-N
Compound name
2-[methylamino-[2-[[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methylamino]ethylamino]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

328.20117 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.208446 181.6
[M+Na]+ 351.190388 186.4
[M-H]- 327.193894 183.6
[M+NH4]+ 346.234993 189.4
[M+K]+ 367.164328 182.6
[M+H-H2O]+ 311.198430 162.7
[M+HCOO]- 373.199371 191.7
[M+CH3COO]- 387.215021 236.0
[M+Na-2H]- 349.175836 179.1
[M]+ 328.20062142 171.1
[M]- 328.20171858 171.1
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