CID 19770

Brn 4140797

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
CC1C2=C3C(=C(NC3=C(C=C2)Cl)CO)CCN1
InChI
InChI=1S/C13H15ClN2O/c1-7-8-2-3-10(14)13-12(8)9(4-5-15-7)11(6-17)16-13/h2-3,7,15-17H,4-6H2,1H3
InChIKey
DCOVDJHRNPZGEB-UHFFFAOYSA-N
Compound name
(5-chloro-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.0873 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 148.8
[M+Na]+ 273.07652 160.5
[M+NH4]+ 268.12112 156.7
[M+K]+ 289.05046 156.7
[M-H]- 249.08002 149.1
[M+Na-2H]- 271.06197 152.3
[M]+ 250.08675 150.8
[M]- 250.08785 150.8
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.