CID 55985

2-[[4-(dimethylamino)-2-methoxy-5-nitrobenzoyl]amino]ethyl-diethylazanium;chloride

Structural Information

Molecular Formula
C16H26N4O4
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N(C)C)[N+](=O)[O-]
InChI
InChI=1S/C16H26N4O4/c1-6-19(7-2)9-8-17-16(21)12-10-14(20(22)23)13(18(3)4)11-15(12)24-5/h10-11H,6-9H2,1-5H3,(H,17,21)
InChIKey
FGTQEICFEHSKTB-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-(dimethylamino)-2-methoxy-5-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

338.1954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20268 180.8
[M+Na]+ 361.18462 184.1
[M-H]- 337.18812 186.7
[M+NH4]+ 356.22922 194.1
[M+K]+ 377.15856 180.7
[M+H-H2O]+ 321.19266 176.7
[M+HCOO]- 383.19360 207.5
[M+CH3COO]- 397.20925 221.9
[M+Na-2H]- 359.17007 182.9
[M]+ 338.19485 184.5
[M]- 338.19595 184.5
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