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 172.5
[M+Na]+ 350.09902 184.7
[M-H]- 326.10252 173.2
[M+NH4]+ 345.14362 185.4
[M+K]+ 366.07296 179.6
[M+H-H2O]+ 310.10706 164.3
[M+HCOO]- 372.10800 187.8
[M+CH3COO]- 386.12365 211.1
[M+Na-2H]- 348.08447 174.2
[M]+ 327.10925 180.6
[M]- 327.11035 180.6
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.