CID 3075022

Benzimidazo(2,1-b)benzo(h)quinazoline, 5,6-dihydro-7-phenyl-

Structural Information

Molecular Formula
C24H17N3
SMILES
C1CC2=C(N3C4=CC=CC=C4N=C3N=C2C5=CC=CC=C51)C6=CC=CC=C6
InChI
InChI=1S/C24H17N3/c1-2-9-17(10-3-1)23-19-15-14-16-8-4-5-11-18(16)22(19)26-24-25-20-12-6-7-13-21(20)27(23)24/h1-13H,14-15H2
InChIKey
TUOWUHKLJLROLA-UHFFFAOYSA-N
Compound name
2-phenyl-3,10,12-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,4,6,8,10,12,14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.14224 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14952 183.3
[M+Na]+ 370.13146 193.9
[M-H]- 346.13496 189.7
[M+NH4]+ 365.17606 197.4
[M+K]+ 386.10540 184.2
[M+H-H2O]+ 330.13950 170.9
[M+HCOO]- 392.14044 199.1
[M+CH3COO]- 406.15609 193.1
[M+Na-2H]- 368.11691 190.4
[M]+ 347.14169 183.6
[M]- 347.14279 183.6
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.