CID 136037

1,2,3,4,6,7-tribenzophenazine

Structural Information

Molecular Formula
C24H14N2
SMILES
C1=CC=C2C(=C1)C=CC3=C2N=C4C5=CC=CC=C5C6=CC=CC=C6C4=N3
InChI
InChI=1S/C24H14N2/c1-2-8-16-15(7-1)13-14-21-22(16)26-24-20-12-6-4-10-18(20)17-9-3-5-11-19(17)23(24)25-21/h1-14H
InChIKey
MAOGUGQCDLRFTD-UHFFFAOYSA-N
Compound name
15,26-diazahexacyclo[12.12.0.02,7.08,13.016,25.017,22]hexacosa-1(26),2,4,6,8,10,12,14,16(25),17,19,21,23-tridecaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

330.1157 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12298 177.3
[M+Na]+ 353.10492 189.4
[M-H]- 329.10842 183.0
[M+NH4]+ 348.14952 192.6
[M+K]+ 369.07886 179.6
[M+H-H2O]+ 313.11296 164.7
[M+HCOO]- 375.11390 194.3
[M+CH3COO]- 389.12955 187.9
[M+Na-2H]- 351.09037 190.4
[M]+ 330.11515 179.7
[M]- 330.11625 179.7
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