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]+ 303.18158 181.0
[M+Na]+ 325.16352 185.9
[M-H]- 301.16702 187.3
[M+NH4]+ 320.20812 182.4
[M+K]+ 341.13746 181.1
[M+H-H2O]+ 285.17156 172.9
[M+HCOO]- 347.17250 200.0
[M+CH3COO]- 361.18815 216.5
[M+Na-2H]- 323.14897 181.9
[M]+ 302.17375 184.3
[M]- 302.17485 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.