CID 10250560

176849-91-5

Structural Information

Molecular Formula
C15H22IN3O2
SMILES
CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)I
InChI
InChI=1S/C15H22IN3O2/c1-3-19-6-4-5-10(19)9-18-15(20)11-7-12(16)13(17)8-14(11)21-2/h7-8,10H,3-6,9,17H2,1-2H3,(H,18,20)
InChIKey
RYQXFWDVKMXKTF-UHFFFAOYSA-N
Compound name
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-iodo-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.07568 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.08296 183.3
[M+Na]+ 426.06490 181.8
[M-H]- 402.06840 181.0
[M+NH4]+ 421.10950 193.7
[M+K]+ 442.03884 184.3
[M+H-H2O]+ 386.07294 171.5
[M+HCOO]- 448.07388 199.4
[M+CH3COO]- 462.08953 215.6
[M+Na-2H]- 424.05035 169.8
[M]+ 403.07513 179.1
[M]- 403.07623 179.1
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.