CID 494831

Brn 4211298

Structural Information

Molecular Formula
C23H24ClN3
SMILES
C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=C(C=C5)Cl)C6=CC=CC=C6N4
InChI
InChI=1S/C23H24ClN3/c24-16-10-8-15(9-11-16)23-26-13-4-3-7-20(26)22-21-18(12-14-27(22)23)17-5-1-2-6-19(17)25-21/h1-2,5-6,8-11,20,22-23,25H,3-4,7,12-14H2
InChIKey
LVRGUQOBRYEEEZ-UHFFFAOYSA-N
Compound name
9-(4-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 191.3
[M+Na]+ 400.15508 199.5
[M-H]- 376.15858 195.4
[M+NH4]+ 395.19968 206.5
[M+K]+ 416.12902 189.4
[M+H-H2O]+ 360.16312 180.8
[M+HCOO]- 422.16406 196.9
[M+CH3COO]- 436.17971 199.1
[M+Na-2H]- 398.14053 189.7
[M]+ 377.16531 187.9
[M]- 377.16641 187.9
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.