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]+ 286.13388 166.5
[M+Na]+ 308.11582 181.3
[M-H]- 284.11932 172.1
[M+NH4]+ 303.16042 186.5
[M+K]+ 324.08976 173.4
[M+H-H2O]+ 268.12386 157.8
[M+HCOO]- 330.12480 188.4
[M+CH3COO]- 344.14045 179.9
[M+Na-2H]- 306.10127 174.1
[M]+ 285.12605 173.6
[M]- 285.12715 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.