CID 2809620

Ccg-50531

Structural Information

Molecular Formula
C12H21N5O3
SMILES
CC1=NN(C(=C1[N+](=O)[O-])NCCCN2CCOCC2)C
InChI
InChI=1S/C12H21N5O3/c1-10-11(17(18)19)12(15(2)14-10)13-4-3-5-16-6-8-20-9-7-16/h13H,3-9H2,1-2H3
InChIKey
UZWQLPGLCXYHCE-UHFFFAOYSA-N
Compound name
1,3-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

283.16443 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.171706 166.0
[M+Na]+ 306.153648 170.4
[M-H]- 282.157154 169.0
[M+NH4]+ 301.198253 177.0
[M+K]+ 322.127588 164.8
[M+H-H2O]+ 266.161690 160.9
[M+HCOO]- 328.162631 184.9
[M+CH3COO]- 342.178281 197.1
[M+Na-2H]- 304.139096 170.8
[M]+ 283.16388142 163.2
[M]- 283.16497858 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.