CID 223274

Nsc10753

Structural Information

Molecular Formula
C15H16N4O4
SMILES
C1CC2(CCC(=O)N(C2=O)CCC#N)C(=O)N(C1=O)CCC#N
InChI
InChI=1S/C15H16N4O4/c16-7-1-9-18-11(20)3-5-15(13(18)22)6-4-12(21)19(14(15)23)10-2-8-17/h1-6,9-10H2
InChIKey
CQYMMFMFANRFOM-UHFFFAOYSA-N
Compound name
3-[2-(2-cyanoethyl)-1,3,7,9-tetraoxo-2,8-diazaspiro[5.5]undecan-8-yl]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.11716 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12444 166.3
[M+Na]+ 339.10638 175.6
[M-H]- 315.10988 168.4
[M+NH4]+ 334.15098 175.5
[M+K]+ 355.08032 170.0
[M+H-H2O]+ 299.11442 150.4
[M+HCOO]- 361.11536 173.0
[M+CH3COO]- 375.13101 230.1
[M+Na-2H]- 337.09183 166.0
[M]+ 316.11661 156.7
[M]- 316.11771 156.7
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.