CID 3062324

2-amino-3-chloro-5-(2-(cyclobutylamino)-1-hydroxyethyl)benzonitrile hydrochloride

Structural Information

Molecular Formula
C13H16ClN3O
SMILES
C1CC(C1)NCC(C2=CC(=C(C(=C2)Cl)N)C#N)O
InChI
InChI=1S/C13H16ClN3O/c14-11-5-8(4-9(6-15)13(11)16)12(18)7-17-10-2-1-3-10/h4-5,10,12,17-18H,1-3,7,16H2
InChIKey
IIZIPWZHPUFMQH-UHFFFAOYSA-N
Compound name
2-amino-3-chloro-5-[2-(cyclobutylamino)-1-hydroxyethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

265.09818 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10546 163.2
[M+Na]+ 288.08740 169.4
[M+NH4]+ 283.13200 164.0
[M+K]+ 304.06134 162.0
[M-H]- 264.09090 157.1
[M+Na-2H]- 286.07285 163.5
[M]+ 265.09763 160.6
[M]- 265.09873 160.6
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

patents stripe