CID 3063382

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

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]+ 254.12478 151.6
[M+Na]+ 276.10672 154.9
[M-H]- 252.11022 152.2
[M+NH4]+ 271.15132 164.8
[M+K]+ 292.08066 149.0
[M+H-H2O]+ 236.11476 148.1
[M+HCOO]- 298.11570 171.2
[M+CH3COO]- 312.13135 188.9
[M+Na-2H]- 274.09217 159.7
[M]+ 253.11695 145.9
[M]- 253.11805 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.