CID 241000

Nsc48034

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CC1=C(C(=C(C(=C1CC(=O)N2CC2)C)C)CC(=O)N3CC3)C
InChI
InChI=1S/C18H24N2O2/c1-11-12(2)16(10-18(22)20-7-8-20)14(4)13(3)15(11)9-17(21)19-5-6-19/h5-10H2,1-4H3
InChIKey
AEWRLJFSKWRMTB-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-2-[4-[2-(aziridin-1-yl)-2-oxoethyl]-2,3,5,6-tetramethylphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 184.3
[M+Na]+ 323.17300 192.7
[M-H]- 299.17650 191.5
[M+NH4]+ 318.21760 187.3
[M+K]+ 339.14694 187.6
[M+H-H2O]+ 283.18104 176.7
[M+HCOO]- 345.18198 200.4
[M+CH3COO]- 359.19763 217.2
[M+Na-2H]- 321.15845 180.7
[M]+ 300.18323 190.6
[M]- 300.18433 190.6
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.