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]+ 282.12773 166.8
[M+Na]+ 304.10967 178.9
[M-H]- 280.11317 174.1
[M+NH4]+ 299.15427 189.5
[M+K]+ 320.08361 171.0
[M+H-H2O]+ 264.11771 159.6
[M+HCOO]- 326.11865 188.0
[M+CH3COO]- 340.13430 179.9
[M+Na-2H]- 302.09512 171.8
[M]+ 281.11990 170.7
[M]- 281.12100 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.