CID 354018

Nsc603850

Structural Information

Molecular Formula
C24H15ClN4O
SMILES
C1=CC=C(C=C1)C2=NC3=NC=C(N3N=C2C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H15ClN4O/c25-19-13-11-18(12-14-19)23(30)20-15-26-24-27-21(16-7-3-1-4-8-16)22(28-29(20)24)17-9-5-2-6-10-17/h1-15H
InChIKey
SDJCQACAEJKDEK-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(2,3-diphenylimidazo[1,2-b][1,2,4]triazin-7-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.09344 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.10072 198.1
[M+Na]+ 433.08266 208.8
[M-H]- 409.08616 206.7
[M+NH4]+ 428.12726 205.6
[M+K]+ 449.05660 199.0
[M+H-H2O]+ 393.09070 184.5
[M+HCOO]- 455.09164 211.9
[M+CH3COO]- 469.10729 207.2
[M+Na-2H]- 431.06811 201.4
[M]+ 410.09289 201.5
[M]- 410.09399 201.5
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.