CID 100487

63931-70-4

Structural Information

Molecular Formula
C10H10ClN3O
SMILES
CCN1C=NNC2=C(C1=O)C=C(C=C2)Cl
InChI
InChI=1S/C10H10ClN3O/c1-2-14-6-12-13-9-4-3-7(11)5-8(9)10(14)15/h3-6,13H,2H2,1H3
InChIKey
IBXXTRWAZITIFF-UHFFFAOYSA-N
Compound name
7-chloro-4-ethyl-1H-1,2,4-benzotriazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05124 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05852 143.0
[M+Na]+ 246.04046 155.7
[M+NH4]+ 241.08506 150.0
[M+K]+ 262.01440 150.4
[M-H]- 222.04396 143.4
[M+Na-2H]- 244.02591 148.8
[M]+ 223.05069 145.2
[M]- 223.05179 145.2
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.