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]+ 292.129196 164.6
[M+Na]+ 314.111138 170.4
[M-H]- 290.114644 171.5
[M+NH4]+ 309.155743 180.4
[M+K]+ 330.085078 169.4
[M+H-H2O]+ 274.119180 156.3
[M+HCOO]- 336.120121 188.6
[M+CH3COO]- 350.135771 207.6
[M+Na-2H]- 312.096586 165.5
[M]+ 291.12137142 165.9
[M]- 291.12246858 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.