CID 71343212

Technetium-99m-mrp20

Structural Information

Molecular Formula
C12H19N3O
SMILES
CC(=CC(=O)C)NCCNCC1=CC=CN1
InChI
InChI=1S/C12H19N3O/c1-10(8-11(2)16)14-7-6-13-9-12-4-3-5-15-12/h3-5,8,13-15H,6-7,9H2,1-2H3
InChIKey
MYOIZVRRAOUGRF-UHFFFAOYSA-N
Compound name
4-[2-(1H-pyrrol-2-ylmethylamino)ethylamino]pent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.15282 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.160096 154.4
[M+Na]+ 244.142038 158.2
[M-H]- 220.145544 154.5
[M+NH4]+ 239.186643 171.5
[M+K]+ 260.115978 155.0
[M+H-H2O]+ 204.150080 146.7
[M+HCOO]- 266.151021 176.5
[M+CH3COO]- 280.166671 191.6
[M+Na-2H]- 242.127486 156.4
[M]+ 221.15227142 151.7
[M]- 221.15336858 151.7
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.