CID 3034287

Nitenpyram

Structural Information

Molecular Formula
C11H15ClN4O2
SMILES
CCN(CC1=CN=C(C=C1)Cl)/C(=C/[N+](=O)[O-])/NC
InChI
InChI=1S/C11H15ClN4O2/c1-3-15(11(13-2)8-16(17)18)7-9-4-5-10(12)14-6-9/h4-6,8,13H,3,7H2,1-2H3/b11-8+
InChIKey
CFRPSFYHXJZSBI-DHZHZOJOSA-N
Compound name
(E)-1-N'-[(6-chloropyridin-3-yl)methyl]-1-N'-ethyl-1-N-methyl-2-nitroethene-1,1-diamine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

136
References

38184
Patents

270.08835 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09563 159.9
[M+Na]+ 293.07757 165.0
[M-H]- 269.08107 162.9
[M+NH4]+ 288.12217 174.8
[M+K]+ 309.05151 158.2
[M+H-H2O]+ 253.08561 157.3
[M+HCOO]- 315.08655 180.8
[M+CH3COO]- 329.10220 198.3
[M+Na-2H]- 291.06302 165.6
[M]+ 270.08780 160.5
[M]- 270.08890 160.5
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