CID 494829

119484-74-1

Structural Information

Molecular Formula
C23H24ClN3
SMILES
C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=C5Cl)C6=CC=CC=C6N4
InChI
InChI=1S/C23H24ClN3/c24-18-9-3-1-8-17(18)23-26-13-6-5-11-20(26)22-21-16(12-14-27(22)23)15-7-2-4-10-19(15)25-21/h1-4,7-10,20,22-23,25H,5-6,11-14H2
InChIKey
DEZWKIQYIZDMDY-UHFFFAOYSA-N
Compound name
9-(2-chlorophenyl)-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16586 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17314 190.9
[M+Na]+ 400.15508 206.7
[M+NH4]+ 395.19968 201.7
[M+K]+ 416.12902 199.5
[M-H]- 376.15858 196.2
[M+Na-2H]- 398.14053 194.9
[M]+ 377.16531 195.1
[M]- 377.16641 195.1
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.