CID 9570289

Aminodantrolene

Structural Information

Molecular Formula
C14H12N4O3
SMILES
C1C(=O)NC(=O)N1/N=C/C2=CC=C(O2)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H12N4O3/c15-10-3-1-9(2-4-10)12-6-5-11(21-12)7-16-18-8-13(19)17-14(18)20/h1-7H,8,15H2,(H,17,19,20)/b16-7+
InChIKey
UXUTWFLSENWVIM-FRKPEAEDSA-N
Compound name
1-[(E)-[5-(4-aminophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

18
Patents

284.09094 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09822 162.3
[M+Na]+ 307.08016 170.4
[M-H]- 283.08366 170.8
[M+NH4]+ 302.12476 176.5
[M+K]+ 323.05410 166.9
[M+H-H2O]+ 267.08820 153.7
[M+HCOO]- 329.08914 185.8
[M+CH3COO]- 343.10479 201.7
[M+Na-2H]- 305.06561 163.5
[M]+ 284.09039 160.6
[M]- 284.09149 160.6
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

patents stripe