CID 4207034

2-(3-methoxy-4-(2-propynyloxy)phenyl)-1h-imidazo(4,5-b)phenazine

Structural Information

Molecular Formula
C23H16N4O2
SMILES
COC1=C(C=CC(=C1)C2=NC3=CC4=NC5=CC=CC=C5NC4=CC3=N2)OCC#C
InChI
InChI=1S/C23H16N4O2/c1-3-10-29-21-9-8-14(11-22(21)28-2)23-26-19-12-17-18(13-20(19)27-23)25-16-7-5-4-6-15(16)24-17/h1,4-9,11-13,24H,10H2,2H3
InChIKey
XDQAGDGTMZBNGJ-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-prop-2-ynoxyphenyl)-10H-imidazo[4,5-b]phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.12732 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13460 194.8
[M+Na]+ 403.11654 208.6
[M-H]- 379.12004 194.4
[M+NH4]+ 398.16114 202.8
[M+K]+ 419.09048 195.6
[M+H-H2O]+ 363.12458 176.8
[M+HCOO]- 425.12552 205.4
[M+CH3COO]- 439.14117 201.6
[M+Na-2H]- 401.10199 198.5
[M]+ 380.12677 193.3
[M]- 380.12787 193.3
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.