CID 104184

3-(diethylamino)-7-oxo-7h-(1)benzopyrano(3',2':3,4)pyrido(1,2-a)benzimidazole-6-carbonitrile

Structural Information

Molecular Formula
C23H18N4O2
SMILES
CCN(CC)C1=CC2=C(C=C1)C=C3C(=C(C(=O)N4C3=NC5=CC=CC=C54)C#N)O2
InChI
InChI=1S/C23H18N4O2/c1-3-26(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)23(28)27-19-8-6-5-7-18(19)25-22(16)27/h5-12H,3-4H2,1-2H3
InChIKey
UTTFXJZCRVZYQF-UHFFFAOYSA-N
Compound name
17-(diethylamino)-11-oxo-14-oxa-3,10-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2,4,6,8,12,15(20),16,18-nonaene-12-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

158
Patents

382.14297 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15025 197.5
[M+Na]+ 405.13219 212.3
[M-H]- 381.13569 202.2
[M+NH4]+ 400.17679 209.6
[M+K]+ 421.10613 202.2
[M+H-H2O]+ 365.14023 180.7
[M+HCOO]- 427.14117 213.5
[M+CH3COO]- 441.15682 206.5
[M+Na-2H]- 403.11764 202.5
[M]+ 382.14242 199.9
[M]- 382.14352 199.9
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