CID 64318059

2-chloro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline

Structural Information

Molecular Formula
C11H12ClN3O
SMILES
CC(C)C1=NOC(=N1)C2=CC(=C(C=C2)N)Cl
InChI
InChI=1S/C11H12ClN3O/c1-6(2)10-14-11(16-15-10)7-3-4-9(13)8(12)5-7/h3-6H,13H2,1-2H3
InChIKey
LRYAWLSOPVWPNK-UHFFFAOYSA-N
Compound name
2-chloro-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0669 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07418 152.6
[M+Na]+ 260.05612 162.8
[M-H]- 236.05962 157.5
[M+NH4]+ 255.10072 168.8
[M+K]+ 276.03006 159.2
[M+H-H2O]+ 220.06416 145.0
[M+HCOO]- 282.06510 170.0
[M+CH3COO]- 296.08075 192.6
[M+Na-2H]- 258.04157 155.6
[M]+ 237.06635 155.2
[M]- 237.06745 155.2
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.