CID 9589065

Brn 4261651

Structural Information

Molecular Formula
C15H16ClN3O
SMILES
CC1=CC=C(N1C)C(=O)N/N=C(\C)/C2=CC=CC=C2Cl
InChI
InChI=1S/C15H16ClN3O/c1-10-8-9-14(19(10)3)15(20)18-17-11(2)12-6-4-5-7-13(12)16/h4-9H,1-3H3,(H,18,20)/b17-11+
InChIKey
VLFGAFRBUKDEGS-GZTJUZNOSA-N
Compound name
N-[(E)-1-(2-chlorophenyl)ethylideneamino]-1,5-dimethylpyrrole-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09818 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10546 168.3
[M+Na]+ 312.08740 176.7
[M-H]- 288.09090 175.6
[M+NH4]+ 307.13200 185.6
[M+K]+ 328.06134 171.9
[M+H-H2O]+ 272.09544 160.6
[M+HCOO]- 334.09638 189.4
[M+CH3COO]- 348.11203 207.8
[M+Na-2H]- 310.07285 169.5
[M]+ 289.09763 171.5
[M]- 289.09873 171.5
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.