CID 12435805

10-azabenzo(a)pyrene

Structural Information

Molecular Formula
C19H11N
SMILES
C1=CC2=C3C(=C1)C=CC4=C5C(=CC(=C43)C=C2)C=CC=N5
InChI
InChI=1S/C19H11N/c1-3-12-6-7-14-11-15-5-2-10-20-19(15)16-9-8-13(4-1)17(12)18(14)16/h1-11H
InChIKey
BYFIUFNRSNKODH-UHFFFAOYSA-N
Compound name
pyreno[1,2-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

7
Patents

253.08914 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09642 155.0
[M+Na]+ 276.07836 166.6
[M-H]- 252.08186 160.2
[M+NH4]+ 271.12296 175.0
[M+K]+ 292.05230 159.2
[M+H-H2O]+ 236.08640 145.4
[M+HCOO]- 298.08734 174.9
[M+CH3COO]- 312.10299 167.8
[M+Na-2H]- 274.06381 169.1
[M]+ 253.08859 159.2
[M]- 253.08969 159.2
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