CID 22222821

23920-15-2

Structural Information

Molecular Formula
C13H21N3O5
SMILES
COCCNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-]
InChI
InChI=1S/C13H21N3O5/c1-21-9-4-14-12-3-2-11(10-13(12)16(19)20)15(5-7-17)6-8-18/h2-3,10,14,17-18H,4-9H2,1H3
InChIKey
YCAQIPZHGGRGEI-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-4-(2-methoxyethylamino)-3-nitroanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2054
Patents

299.14813 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15541 167.1
[M+Na]+ 322.13735 175.6
[M+NH4]+ 317.18195 172.1
[M+K]+ 338.11129 174.0
[M-H]- 298.14085 169.0
[M+Na-2H]- 320.12280 170.1
[M]+ 299.14758 168.2
[M]- 299.14868 168.2
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