CID 487519

E5z8a4qhr2

Structural Information

Molecular Formula
C13H19N3O3
SMILES
CCN(CC)CCNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C13H19N3O3/c1-3-15(4-2)9-8-14-13(17)11-6-5-7-12(10-11)16(18)19/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,17)
InChIKey
XSFDLXRAGIXXTB-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.14264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14992 161.1
[M+Na]+ 288.13186 164.8
[M-H]- 264.13536 165.5
[M+NH4]+ 283.17646 176.7
[M+K]+ 304.10580 160.0
[M+H-H2O]+ 248.13990 158.0
[M+HCOO]- 310.14084 187.4
[M+CH3COO]- 324.15649 200.1
[M+Na-2H]- 286.11731 166.1
[M]+ 265.14209 161.3
[M]- 265.14319 161.3
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

No patent data available for this compound.