CID 5488740

84041-77-0

Structural Information

Molecular Formula
C10H15N3O4
SMILES
C1=CC(=C(C=C1NCCO)[N+](=O)[O-])NCCO
InChI
InChI=1S/C10H15N3O4/c14-5-3-11-8-1-2-9(12-4-6-15)10(7-8)13(16)17/h1-2,7,11-12,14-15H,3-6H2
InChIKey
HWQZRURILVPDGN-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxyethylamino)-3-nitroanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4002
Patents

241.10626 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 148.3
[M+Na]+ 264.09548 152.9
[M-H]- 240.09898 149.2
[M+NH4]+ 259.14008 163.0
[M+K]+ 280.06942 146.2
[M+H-H2O]+ 224.10352 146.0
[M+HCOO]- 286.10446 173.0
[M+CH3COO]- 300.12011 186.6
[M+Na-2H]- 262.08093 155.6
[M]+ 241.10571 145.7
[M]- 241.10681 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe