CID 32042

23694-34-0

Structural Information

Molecular Formula
C16H23N3O3
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)C(=O)N)OC
InChI
InChI=1S/C16H23N3O3/c1-3-19-8-4-5-12(19)10-18-16(21)13-9-11(15(17)20)6-7-14(13)22-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H2,17,20)(H,18,21)
InChIKey
QEISATHFEZVMAA-UHFFFAOYSA-N
Compound name
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-methoxybenzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.17395 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18123 172.9
[M+Na]+ 328.16317 177.1
[M-H]- 304.16667 177.4
[M+NH4]+ 323.20777 187.2
[M+K]+ 344.13711 174.5
[M+H-H2O]+ 288.17121 164.5
[M+HCOO]- 350.17215 193.6
[M+CH3COO]- 364.18780 209.9
[M+Na-2H]- 326.14862 171.0
[M]+ 305.17340 171.4
[M]- 305.17450 171.4
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

patents stripe