CID 3059058

76061-82-0

Structural Information

Molecular Formula
C16H19ClN2
SMILES
CCN1CCN2C3=C(CCCC31)C4=C2C(=CC=C4)Cl
InChI
InChI=1S/C16H19ClN2/c1-2-18-9-10-19-15-11(5-3-7-13(15)17)12-6-4-8-14(18)16(12)19/h3,5,7,14H,2,4,6,8-10H2,1H3
InChIKey
YOYJPDBWEIQLKA-UHFFFAOYSA-N
Compound name
14-chloro-4-ethyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1237 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.130976 164.4
[M+Na]+ 297.112918 174.0
[M-H]- 273.116424 166.6
[M+NH4]+ 292.157523 184.2
[M+K]+ 313.086858 166.9
[M+H-H2O]+ 257.120960 156.3
[M+HCOO]- 319.121901 174.9
[M+CH3COO]- 333.137551 175.3
[M+Na-2H]- 295.098366 168.3
[M]+ 274.12315142 165.6
[M]- 274.12424858 165.6
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

No patent data available for this compound.