CID 5375681

(2e)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C11H12N2O3
SMILES
CN(C)/C=C/C(=O)C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H12N2O3/c1-12(2)7-6-11(14)9-4-3-5-10(8-9)13(15)16/h3-8H,1-2H3/b7-6+
InChIKey
CNGBILRLACOBKO-VOTSOKGWSA-N
Compound name
(E)-3-(dimethylamino)-1-(3-nitrophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

49
Patents

220.0848 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.09208 147.2
[M+Na]+ 243.07402 153.1
[M-H]- 219.07752 152.2
[M+NH4]+ 238.11862 164.9
[M+K]+ 259.04796 148.1
[M+H-H2O]+ 203.08206 145.1
[M+HCOO]- 265.08300 173.4
[M+CH3COO]- 279.09865 188.2
[M+Na-2H]- 241.05947 152.8
[M]+ 220.08425 146.8
[M]- 220.08535 146.8
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