CID 16227306

2-chloro-n-(4-{5h,6h,7h,8h,9h-[1,2,4]triazolo[4,3-a]azepin-3-yl}phenyl)acetamide

Structural Information

Molecular Formula
C15H17ClN4O
SMILES
C1CCC2=NN=C(N2CC1)C3=CC=C(C=C3)NC(=O)CCl
InChI
InChI=1S/C15H17ClN4O/c16-10-14(21)17-12-7-5-11(6-8-12)15-19-18-13-4-2-1-3-9-20(13)15/h5-8H,1-4,9-10H2,(H,17,21)
InChIKey
YHHRGJVKRFANBT-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1091 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.11638 167.7
[M+Na]+ 327.09832 178.1
[M+NH4]+ 322.14292 174.3
[M+K]+ 343.07226 174.1
[M-H]- 303.10182 169.9
[M+Na-2H]- 325.08377 173.5
[M]+ 304.10855 169.9
[M]- 304.10965 169.9
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.