CID 3042607

N-morpholinomethyl-3-bromophenylsuccinimide

Structural Information

Molecular Formula
C15H17BrN2O3
SMILES
C1COCCN1CN2C(=O)CC(C2=O)C3=CC(=CC=C3)Br
InChI
InChI=1S/C15H17BrN2O3/c16-12-3-1-2-11(8-12)13-9-14(19)18(15(13)20)10-17-4-6-21-7-5-17/h1-3,8,13H,4-7,9-10H2
InChIKey
BTSYLONQAQWUTF-UHFFFAOYSA-N
Compound name
3-(3-bromophenyl)-1-(morpholin-4-ylmethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.04224 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.04952 174.9
[M+Na]+ 375.03146 184.1
[M-H]- 351.03496 184.4
[M+NH4]+ 370.07606 189.3
[M+K]+ 391.00540 173.9
[M+H-H2O]+ 335.03950 172.9
[M+HCOO]- 397.04044 189.3
[M+CH3COO]- 411.05609 206.1
[M+Na-2H]- 373.01691 175.9
[M]+ 352.04169 190.4
[M]- 352.04279 190.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.