CID 5463775

93633-79-5

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CNC1=C(C=C(C=C1)N(C)CC(CO)O)[N+](=O)[O-]
InChI
InChI=1S/C11H17N3O4/c1-12-10-4-3-8(5-11(10)14(17)18)13(2)6-9(16)7-15/h3-5,9,12,15-16H,6-7H2,1-2H3
InChIKey
ZYOJRYOHGSVALD-UHFFFAOYSA-N
Compound name
3-[N-methyl-4-(methylamino)-3-nitroanilino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1062
Patents

255.1219 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 155.4
[M+Na]+ 278.11112 164.5
[M+NH4]+ 273.15572 161.2
[M+K]+ 294.08506 163.7
[M-H]- 254.11462 157.7
[M+Na-2H]- 276.09657 159.1
[M]+ 255.12135 156.8
[M]- 255.12245 156.8
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