CID 5273857

1,2,3,4-tetrahydrobenzo[b]phenazine

Structural Information

Molecular Formula
C16H14N2
SMILES
C1CCC2=NC3=CC4=CC=CC=C4C=C3N=C2C1
InChI
InChI=1S/C16H14N2/c1-2-6-12-10-16-15(9-11(12)5-1)17-13-7-3-4-8-14(13)18-16/h1-2,5-6,9-10H,3-4,7-8H2
InChIKey
CXOADDVHIXHDIJ-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydrobenzo[b]phenazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

234.11569 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12297 150.6
[M+Na]+ 257.10491 159.8
[M-H]- 233.10841 153.8
[M+NH4]+ 252.14951 168.5
[M+K]+ 273.07885 153.4
[M+H-H2O]+ 217.11295 141.0
[M+HCOO]- 279.11389 167.9
[M+CH3COO]- 293.12954 162.3
[M+Na-2H]- 255.09036 161.7
[M]+ 234.11514 149.1
[M]- 234.11624 149.1
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