CID 208639

Brn 0619959

Structural Information

Molecular Formula
C16H13N3O
SMILES
CC1=CC2=C(C=C1C)N3C(=O)C4=CC=CC=C4N=C3N2
InChI
InChI=1S/C16H13N3O/c1-9-7-13-14(8-10(9)2)19-15(20)11-5-3-4-6-12(11)17-16(19)18-13/h3-8H,1-2H3,(H,17,18)
InChIKey
WRHSWQOQEQPFCF-UHFFFAOYSA-N
Compound name
8,9-dimethyl-6H-benzimidazolo[2,1-b]quinazolin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

263.10587 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 159.4
[M+Na]+ 286.09509 177.9
[M+NH4]+ 281.13969 168.5
[M+K]+ 302.06903 170.8
[M-H]- 262.09859 162.2
[M+Na-2H]- 284.08054 166.6
[M]+ 263.10532 163.1
[M]- 263.10642 163.1
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

patents stripe