CID 3063382

1,1-ethenediamine, n-methyl-2-nitro-n'-((1,4,6,7-tetrahydropyrano(3,4-d)imidazol-4-yl)methyl)-

Structural Information

Molecular Formula
C10H15N5O3
SMILES
CN/C(=C/[N+](=O)[O-])/NCC1C2=C(CCO1)NC=N2
InChI
InChI=1S/C10H15N5O3/c1-11-9(5-15(16)17)12-4-8-10-7(2-3-18-8)13-6-14-10/h5-6,8,11-12H,2-4H2,1H3,(H,13,14)/b9-5-
InChIKey
VQMFUOPKTQJCEW-UITAMQMPSA-N
Compound name
(Z)-1-N-methyl-2-nitro-1-N'-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-ylmethyl)ethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1175 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.124776 151.6
[M+Na]+ 276.106718 154.9
[M-H]- 252.110224 152.2
[M+NH4]+ 271.151323 164.8
[M+K]+ 292.080658 149.0
[M+H-H2O]+ 236.114760 148.1
[M+HCOO]- 298.115701 171.2
[M+CH3COO]- 312.131351 188.9
[M+Na-2H]- 274.092166 159.7
[M]+ 253.11695142 145.9
[M]- 253.11804858 145.9
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.