CID 6886357

Mls000768163

Structural Information

Molecular Formula
C14H14ClN3O
SMILES
CN1C=CC=C1CC(=O)N/N=C/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H14ClN3O/c1-18-8-2-3-13(18)9-14(19)17-16-10-11-4-6-12(15)7-5-11/h2-8,10H,9H2,1H3,(H,17,19)/b16-10+
InChIKey
OPMKXVIMCFRXLX-MHWRWJLKSA-N
Compound name
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

275.08255 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.08983 163.5
[M+Na]+ 298.07177 171.7
[M-H]- 274.07527 170.4
[M+NH4]+ 293.11637 181.1
[M+K]+ 314.04571 166.5
[M+H-H2O]+ 258.07981 155.5
[M+HCOO]- 320.08075 185.9
[M+CH3COO]- 334.09640 202.7
[M+Na-2H]- 296.05722 167.1
[M]+ 275.08200 166.4
[M]- 275.08310 166.4
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

No patent data available for this compound.