CID 11140152

Ethanol, 2-4-ethyl(2-hydroxyethyl)amino-2-nitrophenylamino-

Structural Information

Molecular Formula
C12H19N3O4
SMILES
CCN(CCO)C1=CC(=C(C=C1)NCCO)[N+](=O)[O-]
InChI
InChI=1S/C12H19N3O4/c1-2-14(6-8-17)10-3-4-11(13-5-7-16)12(9-10)15(18)19/h3-4,9,13,16-17H,2,5-8H2,1H3
InChIKey
SSRBPSAPLFYFAX-UHFFFAOYSA-N
Compound name
2-[4-[ethyl(2-hydroxyethyl)amino]-2-nitroanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2364
Patents

269.13754 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14482 158.7
[M+Na]+ 292.12676 162.5
[M-H]- 268.13026 160.6
[M+NH4]+ 287.17136 172.9
[M+K]+ 308.10070 156.8
[M+H-H2O]+ 252.13480 155.9
[M+HCOO]- 314.13574 183.2
[M+CH3COO]- 328.15139 196.0
[M+Na-2H]- 290.11221 164.1
[M]+ 269.13699 157.9
[M]- 269.13809 157.9
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

patents stripe