CID 3063052

1,1-ethenediamine, n-((1-ethyl-4,5,6,7-tetrahydro-1h-benzimidazol-5-yl)methyl)-n'-methyl-2-nitro-

Structural Information

Molecular Formula
C13H21N5O2
SMILES
CCN1C=NC2=C1CCC(C2)CN/C(=C/[N+](=O)[O-])/NC
InChI
InChI=1S/C13H21N5O2/c1-3-17-9-16-11-6-10(4-5-12(11)17)7-15-13(14-2)8-18(19)20/h8-10,14-15H,3-7H2,1-2H3/b13-8+
InChIKey
GQSDVPSTIXGHBE-MDWZMJQESA-N
Compound name
(E)-1-N'-[(1-ethyl-4,5,6,7-tetrahydrobenzimidazol-5-yl)methyl]-1-N-methyl-2-nitroethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16953 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.17681 162.4
[M+Na]+ 302.15875 170.5
[M+NH4]+ 297.20335 168.4
[M+K]+ 318.13269 169.8
[M-H]- 278.16225 164.3
[M+Na-2H]- 300.14420 164.5
[M]+ 279.16898 163.4
[M]- 279.17008 163.4
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.