CID 4166526

531-47-5

Structural Information

Molecular Formula
C18H12N4
SMILES
C1=CC=C2C(=C1)NC3=CC4=NC5=CC=CC=C5N=C4C=C3N2
InChI
InChI=1S/C18H12N4/c1-2-6-12-11(5-1)19-15-9-17-18(10-16(15)20-12)22-14-8-4-3-7-13(14)21-17/h1-10,19-20H
InChIKey
IFXSPEWBAZHCCC-UHFFFAOYSA-N
Compound name
7,12-dihydroquinoxalino[2,3-b]phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

284.1062 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11348 164.4
[M+Na]+ 307.09542 175.0
[M-H]- 283.09892 163.7
[M+NH4]+ 302.14002 176.9
[M+K]+ 323.06936 165.0
[M+H-H2O]+ 267.10346 153.3
[M+HCOO]- 329.10440 176.2
[M+CH3COO]- 343.12005 173.6
[M+Na-2H]- 305.08087 176.8
[M]+ 284.10565 161.6
[M]- 284.10675 161.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe