CID 6453890

60006-11-3

Structural Information

Molecular Formula
C17H24N4O2
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CCCC2)NC(=O)N3CCCC3
InChI
InChI=1S/C17H24N4O2/c1-13-6-7-14(18-16(22)20-8-2-3-9-20)12-15(13)19-17(23)21-10-4-5-11-21/h6-7,12H,2-5,8-11H2,1H3,(H,18,22)(H,19,23)
InChIKey
GXNHWSRZOJJZKB-UHFFFAOYSA-N
Compound name
N-[4-methyl-3-(pyrrolidine-1-carbonylamino)phenyl]pyrrolidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

316.1899 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19718 175.7
[M+Na]+ 339.17912 177.9
[M-H]- 315.18262 182.3
[M+NH4]+ 334.22372 189.7
[M+K]+ 355.15306 175.0
[M+H-H2O]+ 299.18716 166.1
[M+HCOO]- 361.18810 194.6
[M+CH3COO]- 375.20375 207.5
[M+Na-2H]- 337.16457 173.0
[M]+ 316.18935 169.6
[M]- 316.19045 169.6
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