CID 134164

Slcnu

Structural Information

Molecular Formula

C₁₂H₂₂ClN₄O₃

SMILES

CC1(CC(CC(N1[O])(C)C)NC(=O)N(CCCl)N=O)C

InChI

InChI=1S/C12H22ClN4O3/c1-11(2)7-9(8-12(3,4)17(11)20)14-10(18)16(15-19)6-5-13/h9H,5-8H2,1-4H3,(H,14,18)

InChIKey

UAXKBFHONACCHL-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 0
Patents: 305.13803 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	306.14531	163.8
[M+Na]+	328.12725	170.5
[M-H]-	304.13075	168.7
[M+NH4]+	323.17185	183.1
[M+K]+	344.10119	170.6
[M+H-H2O]+	288.13529	159.2
[M+HCOO]-	350.13623	182.5
[M+CH3COO]-	364.15188	215.5
[M+Na-2H]-	326.11270	168.0
[M]+	305.13748	168.1
[M]-	305.13858	168.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.