CID 57561

1-aziridinepropionamide, n,n'-m-phenylenebis-

Structural Information

Molecular Formula
C16H22N4O2
SMILES
C1CN1CCC(=O)NC2=CC(=CC=C2)NC(=O)CCN3CC3
InChI
InChI=1S/C16H22N4O2/c21-15(4-6-19-8-9-19)17-13-2-1-3-14(12-13)18-16(22)5-7-20-10-11-20/h1-3,12H,4-11H2,(H,17,21)(H,18,22)
InChIKey
UMLBWWSYXCQHDN-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-[3-[3-(aziridin-1-yl)propanoylamino]phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1743 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.181576 181.0
[M+Na]+ 325.163518 185.9
[M-H]- 301.167024 187.3
[M+NH4]+ 320.208123 182.4
[M+K]+ 341.137458 181.1
[M+H-H2O]+ 285.171560 172.9
[M+HCOO]- 347.172501 200.0
[M+CH3COO]- 361.188151 216.5
[M+Na-2H]- 323.148966 181.9
[M]+ 302.17375142 184.3
[M]- 302.17484858 184.3
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.