CID 343837

7402-96-2

Structural Information

Molecular Formula
C17H24N4O2
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CC2(C)C)NC(=O)N3CC3(C)C
InChI
InChI=1S/C17H24N4O2/c1-11-6-7-12(18-14(22)20-9-16(20,2)3)8-13(11)19-15(23)21-10-17(21,4)5/h6-8H,9-10H2,1-5H3,(H,18,22)(H,19,23)
InChIKey
SGNCEJKNJBDGND-UHFFFAOYSA-N
Compound name
N-[3-[(2,2-dimethylaziridine-1-carbonyl)amino]-4-methylphenyl]-2,2-dimethylaziridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1899 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19718 185.9
[M+Na]+ 339.17912 193.5
[M-H]- 315.18262 193.5
[M+NH4]+ 334.22372 191.0
[M+K]+ 355.15306 191.4
[M+H-H2O]+ 299.18716 181.3
[M+HCOO]- 361.18810 202.9
[M+CH3COO]- 375.20375 220.3
[M+Na-2H]- 337.16457 186.3
[M]+ 316.18935 191.7
[M]- 316.19045 191.7
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.