CID 3085309

Dtxsid0070235

Structural Information

Molecular Formula
C22H17N5O2
SMILES
CN1C(=CC=C2C(=NOC2=O)C3=CC=CC=C3)N(C4=NC5=CC=CC=C5N=C41)C
InChI
InChI=1S/C22H17N5O2/c1-26-18(27(2)21-20(26)23-16-10-6-7-11-17(16)24-21)13-12-15-19(25-29-22(15)28)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKey
NZFBAOUMSKCDBC-UHFFFAOYSA-N
Compound name
4-[2-(1,3-dimethylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]-3-phenyl-1,2-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1382 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14548 196.4
[M+Na]+ 406.12742 207.4
[M-H]- 382.13092 203.1
[M+NH4]+ 401.17202 205.4
[M+K]+ 422.10136 199.8
[M+H-H2O]+ 366.13546 185.0
[M+HCOO]- 428.13640 210.4
[M+CH3COO]- 442.15205 205.5
[M+Na-2H]- 404.11287 194.6
[M]+ 383.13765 197.6
[M]- 383.13875 197.6
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.