CID 430578

Nsc278357

Structural Information

Molecular Formula
C14H18N3O2
SMILES
CC1=CC=CC=C1N2C(=O)N[N+]3(C2=O)CCCCC3
InChI
InChI=1S/C14H17N3O2/c1-11-7-3-4-8-12(11)16-13(18)15-17(14(16)19)9-5-2-6-10-17/h3-4,7-8H,2,5-6,9-10H2,1H3/p+1
InChIKey
ANVWDACUFPSZKZ-UHFFFAOYSA-O
Compound name
3-(2-methylphenyl)-1,3-diaza-5-azoniaspiro[4.5]decane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1399 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14718 160.9
[M+Na]+ 283.12912 167.7
[M-H]- 259.13262 164.3
[M+NH4]+ 278.17372 176.5
[M+K]+ 299.10306 157.2
[M+H-H2O]+ 243.13716 154.4
[M+HCOO]- 305.13810 175.0
[M+CH3COO]- 319.15375 183.9
[M+Na-2H]- 281.11457 165.0
[M]+ 260.13935 152.6
[M]- 260.14045 152.6
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.