CID 32210

4-chloro-n-(diethylaminoethyl)-2-nitroaniline

Structural Information

Molecular Formula
C12H18ClN3O2
SMILES
CCN(CC)CCNC1=C(C=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H18ClN3O2/c1-3-15(4-2)8-7-14-11-6-5-10(13)9-12(11)16(17)18/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKey
MPLRBEWWXHLPPW-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-nitrophenyl)-N',N'-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.10876 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11604 162.5
[M+Na]+ 294.09798 168.0
[M-H]- 270.10148 166.9
[M+NH4]+ 289.14258 179.1
[M+K]+ 310.07192 161.2
[M+H-H2O]+ 254.10602 160.8
[M+HCOO]- 316.10696 185.0
[M+CH3COO]- 330.12261 200.9
[M+Na-2H]- 292.08343 167.6
[M]+ 271.10821 164.9
[M]- 271.10931 164.9
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