CID 3077652

135017-76-4

Structural Information

Molecular Formula
C18H26N6O
SMILES
CNC(=C(C#N)C#N)NCCNCC1=CC=C(O1)CN2CCCCC2
InChI
InChI=1S/C18H26N6O/c1-21-18(15(11-19)12-20)23-8-7-22-13-16-5-6-17(25-16)14-24-9-3-2-4-10-24/h5-6,21-23H,2-4,7-10,13-14H2,1H3
InChIKey
BIYMBWOGRIMVGC-UHFFFAOYSA-N
Compound name
2-[methylamino-[2-[[5-(piperidin-1-ylmethyl)furan-2-yl]methylamino]ethylamino]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.2168 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.22408 183.7
[M+Na]+ 365.20602 187.7
[M-H]- 341.20952 185.3
[M+NH4]+ 360.25062 190.0
[M+K]+ 381.17996 183.7
[M+H-H2O]+ 325.21406 164.9
[M+HCOO]- 387.21500 192.3
[M+CH3COO]- 401.23065 238.1
[M+Na-2H]- 363.19147 181.7
[M]+ 342.21625 171.9
[M]- 342.21735 171.9
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.