CID 36383

33229-34-4

Structural Information

Molecular Formula
C12H19N3O5
SMILES
C1=CC(=C(C=C1N(CCO)CCO)[N+](=O)[O-])NCCO
InChI
InChI=1S/C12H19N3O5/c16-6-3-13-11-2-1-10(9-12(11)15(19)20)14(4-7-17)5-8-18/h1-2,9,13,16-18H,3-8H2
InChIKey
MIWUTEVJIISHCP-UHFFFAOYSA-N
Compound name
2-[4-[bis(2-hydroxyethyl)amino]-2-nitroanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

8
References

5530
Patents

285.13248 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13976 160.4
[M+Na]+ 308.12170 163.6
[M-H]- 284.12520 160.9
[M+NH4]+ 303.16630 173.1
[M+K]+ 324.09564 157.6
[M+H-H2O]+ 268.12974 157.5
[M+HCOO]- 330.13068 183.6
[M+CH3COO]- 344.14633 195.7
[M+Na-2H]- 306.10715 165.7
[M]+ 285.13193 159.1
[M]- 285.13303 159.1
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