CID 3033969

Benz(e)indeno(1,2-b)indole

Structural Information

Molecular Formula
C19H11N
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=CC5=CC=CC=C5C4=N3
InChI
InChI=1S/C19H11N/c1-3-7-14-12(5-1)9-10-17-18(14)16-11-13-6-2-4-8-15(13)19(16)20-17/h1-11H
InChIKey
FHLNQZWAFUPLEL-UHFFFAOYSA-N
Compound name
11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08914 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09642 156.5
[M+Na]+ 276.07836 168.7
[M-H]- 252.08186 163.8
[M+NH4]+ 271.12296 180.1
[M+K]+ 292.05230 161.3
[M+H-H2O]+ 236.08640 149.5
[M+HCOO]- 298.08734 178.5
[M+CH3COO]- 312.10299 170.3
[M+Na-2H]- 274.06381 163.4
[M]+ 253.08859 159.5
[M]- 253.08969 159.5
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.