CID 17734

Hc blue 1

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CNC1=C(C=C(C=C1)N(CCO)CCO)[N+](=O)[O-]
InChI
InChI=1S/C11H17N3O4/c1-12-10-3-2-9(8-11(10)14(17)18)13(4-6-15)5-7-16/h2-3,8,12,15-16H,4-7H2,1H3
InChIKey
MWJSMPQOVHQYTE-UHFFFAOYSA-N
Compound name
2-[N-(2-hydroxyethyl)-4-(methylamino)-3-nitroanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14
References

644
Patents

255.1219 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 154.0
[M+Na]+ 278.111118 158.3
[M-H]- 254.114624 156.1
[M+NH4]+ 273.155723 168.8
[M+K]+ 294.085058 152.8
[M+H-H2O]+ 238.119160 151.4
[M+HCOO]- 300.120101 178.9
[M+CH3COO]- 314.135751 192.9
[M+Na-2H]- 276.096566 159.9
[M]+ 255.12135142 152.9
[M]- 255.12244858 152.9
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