CID 341783

82983-03-7

Structural Information

Molecular Formula
C19H15N3
SMILES
CCN1C2=C(C3=CC=CC=C31)C4=C(C=C2)N5C=CC=C5C=N4
InChI
InChI=1S/C19H15N3/c1-2-21-15-8-4-3-7-14(15)18-16(21)9-10-17-19(18)20-12-13-6-5-11-22(13)17/h3-12H,2H2,1H3
InChIKey
BJSMVXRUORIPBE-UHFFFAOYSA-N
Compound name
9-ethyl-9,14,20-triazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

285.1266 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.133876 166.5
[M+Na]+ 308.115818 181.3
[M-H]- 284.119324 172.1
[M+NH4]+ 303.160423 186.5
[M+K]+ 324.089758 173.4
[M+H-H2O]+ 268.123860 157.8
[M+HCOO]- 330.124801 188.4
[M+CH3COO]- 344.140451 179.9
[M+Na-2H]- 306.101266 174.1
[M]+ 285.12605142 173.6
[M]- 285.12714858 173.6
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

No patent data available for this compound.