CID 408891

Chembl3391857

Structural Information

Molecular Formula
C14H21N3O4
SMILES
CCN(CC)CCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C14H21N3O4/c1-4-16(5-2)9-8-15-14(18)12-7-6-11(17(19)20)10-13(12)21-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,15,18)
InChIKey
WTFSSDYAZCHKSU-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-methoxy-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

295.1532 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.160476 168.4
[M+Na]+ 318.142418 172.4
[M-H]- 294.145924 172.9
[M+NH4]+ 313.187023 182.9
[M+K]+ 334.116358 167.9
[M+H-H2O]+ 278.150460 165.0
[M+HCOO]- 340.151401 194.5
[M+CH3COO]- 354.167051 206.4
[M+Na-2H]- 316.127866 172.4
[M]+ 295.15265142 170.6
[M]- 295.15374858 170.6
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