CID 3068222

L-(-)-chlambamid

Structural Information

Molecular Formula
C13H18ClN5O3
SMILES
CC[C@@H](CCl)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C
InChI
InChI=1S/C13H18ClN5O3/c1-4-8(5-14)16-9(20)6-19-7-15-11-10(19)12(21)18(3)13(22)17(11)2/h7-8H,4-6H2,1-3H3,(H,16,20)/t8-/m0/s1
InChIKey
WSCMLTUZBBYWNP-QMMMGPOBSA-N
Compound name
N-[(2S)-1-chlorobutan-2-yl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1098 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11708 171.9
[M+Na]+ 350.09902 184.2
[M+NH4]+ 345.14362 176.0
[M+K]+ 366.07296 181.4
[M-H]- 326.10252 170.2
[M+Na-2H]- 348.08447 174.4
[M]+ 327.10925 173.0
[M]- 327.11035 173.0
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.