CID 3024600

96591-13-8

Structural Information

Molecular Formula
C12H21N5O3
SMILES
C=CC(=O)NCNC(=O)CCNCCN1CCNC1=O
InChI
InChI=1S/C12H21N5O3/c1-2-10(18)15-9-16-11(19)3-4-13-5-7-17-8-6-14-12(17)20/h2,13H,1,3-9H2,(H,14,20)(H,15,18)(H,16,19)
InChIKey
AZVSESGSBWESMH-UHFFFAOYSA-N
Compound name
3-[2-(2-oxoimidazolidin-1-yl)ethylamino]-N-[(prop-2-enoylamino)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16443 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.171706 165.9
[M+Na]+ 306.153648 168.1
[M-H]- 282.157154 164.4
[M+NH4]+ 301.198253 178.6
[M+K]+ 322.127588 165.4
[M+H-H2O]+ 266.161690 157.0
[M+HCOO]- 328.162631 185.7
[M+CH3COO]- 342.178281 203.8
[M+Na-2H]- 304.139096 166.4
[M]+ 283.16388142 161.9
[M]- 283.16497858 161.9
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.