CID 167716931

2,5-dioxopyrrolidin-1-yl n-{[4-(dimethylamino)phenyl]methyl}carbamate

Structural Information

Molecular Formula
C14H17N3O4
SMILES
CN(C)C1=CC=C(C=C1)CNC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C14H17N3O4/c1-16(2)11-5-3-10(4-6-11)9-15-14(20)21-17-12(18)7-8-13(17)19/h3-6H,7-9H2,1-2H3,(H,15,20)
InChIKey
YBMQAQGZHZAEKE-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) N-[[4-(dimethylamino)phenyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.12192 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12920 164.6
[M+Na]+ 314.11114 170.4
[M-H]- 290.11464 171.5
[M+NH4]+ 309.15574 180.4
[M+K]+ 330.08508 169.4
[M+H-H2O]+ 274.11918 156.3
[M+HCOO]- 336.12012 188.6
[M+CH3COO]- 350.13577 207.6
[M+Na-2H]- 312.09659 165.5
[M]+ 291.12137 165.9
[M]- 291.12247 165.9
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.