CID 6476990

Nsc81527

Structural Information

Molecular Formula
C22H13ClN2
SMILES
C1=CC=C(C(=C1)/C=C\2/C3=CC=CC=C3C4=NC5=CC=CC=C5N=C24)Cl
InChI
InChI=1S/C22H13ClN2/c23-18-10-4-1-7-14(18)13-17-15-8-2-3-9-16(15)21-22(17)25-20-12-6-5-11-19(20)24-21/h1-13H/b17-13-
InChIKey
XTAKIMMCGNQOJN-LGMDPLHJSA-N
Compound name
(11Z)-11-[(2-chlorophenyl)methylidene]indeno[1,2-b]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.07672 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.08400 181.6
[M+Na]+ 363.06594 193.4
[M-H]- 339.06944 188.3
[M+NH4]+ 358.11054 197.8
[M+K]+ 379.03988 183.2
[M+H-H2O]+ 323.07398 171.4
[M+HCOO]- 385.07492 195.7
[M+CH3COO]- 399.09057 192.4
[M+Na-2H]- 361.05139 186.9
[M]+ 340.07617 184.0
[M]- 340.07727 184.0
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.