CID 457992

15302-99-5

Structural Information

Molecular Formula
C15H14N2
SMILES
C1C[N+]2=CC=CC3=C2C4=C(C=CC=[N+]4C1)C=C3
InChI
InChI=1S/C15H14N2/c1-4-12-6-7-13-5-2-9-17-11-3-10-16(8-1)14(12)15(13)17/h1-2,4-9H,3,10-11H2/q+2
InChIKey
VVCUMCOARYCLHE-UHFFFAOYSA-N
Compound name
1,5-diazoniatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.11569 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 154.7
[M+Na]+ 245.10491 163.2
[M-H]- 221.10841 159.2
[M+NH4]+ 240.14951 172.2
[M+K]+ 261.07885 151.2
[M+H-H2O]+ 205.11295 152.7
[M+HCOO]- 267.11389 171.5
[M+CH3COO]- 281.12954 183.2
[M+Na-2H]- 243.09036 169.8
[M]+ 222.11514 152.0
[M]- 222.11624 152.0
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

patents stripe