CID 366479

Nsc634939

Structural Information

Molecular Formula
C18H24N4O4
SMILES
C1CCC(CC1)NCC2=C([N+](=O)C3=CC=CC=C3N2[O-])C(=O)NCCO
InChI
InChI=1S/C18H24N4O4/c23-11-10-19-18(24)17-16(12-20-13-6-2-1-3-7-13)21(25)14-8-4-5-9-15(14)22(17)26/h4-5,8-9,13,20,23H,1-3,6-7,10-12H2,(H,19,24)
InChIKey
LIVXSKDOBWUDJZ-UHFFFAOYSA-N
Compound name
3-[(cyclohexylamino)methyl]-N-(2-hydroxyethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.17975 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.18703 181.6
[M+Na]+ 383.16897 184.5
[M-H]- 359.17247 182.8
[M+NH4]+ 378.21357 189.6
[M+K]+ 399.14291 174.7
[M+H-H2O]+ 343.17701 176.2
[M+HCOO]- 405.17795 196.8
[M+CH3COO]- 419.19360 207.1
[M+Na-2H]- 381.15442 187.0
[M]+ 360.17920 175.4
[M]- 360.18030 175.4
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.