CID 453614

136723-26-7

Structural Information

Molecular Formula
C15H19ClN2
SMILES
CCCN1CC2=C3C(=C(NC3=CC=C2)Cl)CC1C
InChI
InChI=1S/C15H19ClN2/c1-3-7-18-9-11-5-4-6-13-14(11)12(8-10(18)2)15(16)17-13/h4-6,10,17H,3,7-9H2,1-2H3
InChIKey
UFFKBSBMSIUDNM-UHFFFAOYSA-N
Compound name
2-chloro-11-methyl-10-propyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.1237 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13098 160.4
[M+Na]+ 285.11292 170.8
[M-H]- 261.11642 162.7
[M+NH4]+ 280.15752 178.8
[M+K]+ 301.08686 167.0
[M+H-H2O]+ 245.12096 153.7
[M+HCOO]- 307.12190 173.3
[M+CH3COO]- 321.13755 171.8
[M+Na-2H]- 283.09837 164.0
[M]+ 262.12315 160.6
[M]- 262.12425 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

literature stripe

Patent stripe

No patent data available for this compound.