CID 383960

Benzosampangine

Structural Information

Molecular Formula
C19H10N2O
SMILES
C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC5=CC=CC=C45)C2=O
InChI
InChI=1S/C19H10N2O/c22-19-14-7-2-1-6-13(14)17-16-12(9-10-20-17)11-5-3-4-8-15(11)21-18(16)19/h1-10H
InChIKey
SGZVAGOBRALNLJ-UHFFFAOYSA-N
Compound name
2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

17
Patents

282.0793 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08658 163.1
[M+Na]+ 305.06852 174.8
[M-H]- 281.07202 167.4
[M+NH4]+ 300.11312 180.2
[M+K]+ 321.04246 167.3
[M+H-H2O]+ 265.07656 152.4
[M+HCOO]- 327.07750 180.4
[M+CH3COO]- 341.09315 174.8
[M+Na-2H]- 303.05397 175.2
[M]+ 282.07875 165.7
[M]- 282.07985 165.7
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