CID 3077643

N,n-dimethyl-n'-(2-((1-(methylamino)-2-nitroethenyl)amino)ethyl)-2,5-furandimethanamine

Structural Information

Molecular Formula
C13H23N5O3
SMILES
CN/C(=C\[N+](=O)[O-])/NCCNCC1=CC=C(O1)CN(C)C
InChI
InChI=1S/C13H23N5O3/c1-14-13(10-18(19)20)16-7-6-15-8-11-4-5-12(21-11)9-17(2)3/h4-5,10,14-16H,6-9H2,1-3H3/b13-10+
InChIKey
FKPVAVFXTJJABH-JLHYYAGUSA-N
Compound name
(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylamino]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

297.18008 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18736 170.7
[M+Na]+ 320.16930 172.1
[M-H]- 296.17280 175.4
[M+NH4]+ 315.21390 184.4
[M+K]+ 336.14324 168.2
[M+H-H2O]+ 280.17734 166.4
[M+HCOO]- 342.17828 198.3
[M+CH3COO]- 356.19393 210.3
[M+Na-2H]- 318.15475 175.8
[M]+ 297.17953 170.1
[M]- 297.18063 170.1
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

patents stripe