CID 4373408

2-(2-chloro-5-nitropyridin-4-yl)-3-(dimethylamino)prop-2-enal

Structural Information

Molecular Formula
C10H10ClN3O3
SMILES
CN(C)C=C(C=O)C1=CC(=NC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C10H10ClN3O3/c1-13(2)5-7(6-15)8-3-10(11)12-4-9(8)14(16)17/h3-6H,1-2H3
InChIKey
PCWXJQLUHHOJBV-UHFFFAOYSA-N
Compound name
2-(2-chloro-5-nitropyridin-4-yl)-3-(dimethylamino)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.04106 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04834 152.7
[M+Na]+ 278.03028 160.3
[M-H]- 254.03378 156.4
[M+NH4]+ 273.07488 168.7
[M+K]+ 294.00422 153.6
[M+H-H2O]+ 238.03832 151.0
[M+HCOO]- 300.03926 173.3
[M+CH3COO]- 314.05491 192.7
[M+Na-2H]- 276.01573 158.0
[M]+ 255.04051 154.8
[M]- 255.04161 154.8
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.