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
3
Annotation Hits

0
References

1238
Patents

244.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 171.5
[M+Na]+ 267.11041 180.0
[M-H]- 243.11391 178.8
[M+NH4]+ 262.15501 175.9
[M+K]+ 283.08435 176.0
[M+H-H2O]+ 227.11845 163.9
[M+HCOO]- 289.11939 188.9
[M+CH3COO]- 303.13504 205.3
[M+Na-2H]- 265.09586 170.7
[M]+ 244.12064 175.8
[M]- 244.12174 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