CID 24301

1,1'-(1,3-phenylenedicarbonyl)bis[2-methylaziridine]

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CC1CN1C(=O)C2=CC(=CC=C2)C(=O)N3CC3C
InChI
InChI=1S/C14H16N2O2/c1-9-7-15(9)13(17)11-4-3-5-12(6-11)14(18)16-8-10(16)2/h3-6,9-10H,7-8H2,1-2H3
InChIKey
PQJYXFVJBSRUPG-UHFFFAOYSA-N
Compound name
[3-(2-methylaziridine-1-carbonyl)phenyl]-(2-methylaziridin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1139
Patents

244.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.128466 171.5
[M+Na]+ 267.110408 180.0
[M-H]- 243.113914 178.8
[M+NH4]+ 262.155013 175.9
[M+K]+ 283.084348 176.0
[M+H-H2O]+ 227.118450 163.9
[M+HCOO]- 289.119391 188.9
[M+CH3COO]- 303.135041 205.3
[M+Na-2H]- 265.095856 170.7
[M]+ 244.12064142 175.8
[M]- 244.12173858 175.8
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