CID 116118

Benz(e)indeno(1,2-b)indole, 9-ethyl-

Structural Information

Molecular Formula
C21H15N
SMILES
CCC1=CC2=C(C=C1)C=C3C2=NC4=C3C5=CC=CC=C5C=C4
InChI
InChI=1S/C21H15N/c1-2-13-7-8-15-12-18-20-16-6-4-3-5-14(16)9-10-19(20)22-21(18)17(15)11-13/h3-12H,2H2,1H3
InChIKey
DTCAHTNWKBPKRS-UHFFFAOYSA-N
Compound name
7-ethyl-11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4(9),5,7,10,13,15,17,19-decaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.12045 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.127726 166.8
[M+Na]+ 304.109668 178.9
[M-H]- 280.113174 174.1
[M+NH4]+ 299.154273 189.5
[M+K]+ 320.083608 171.0
[M+H-H2O]+ 264.117710 159.6
[M+HCOO]- 326.118651 188.0
[M+CH3COO]- 340.134301 179.9
[M+Na-2H]- 302.095116 171.8
[M]+ 281.11990142 170.7
[M]- 281.12099858 170.7
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.