CID 494078

Nsc103709

Structural Information

Molecular Formula
C16H12N4
SMILES
C1=CC=C2C(=C1)NC3=C[N+]4=C(C=[N+]23)NC5=CC=CC=C54
InChI
InChI=1S/C16H11N4/c1-3-7-13-11(5-1)17-15-9-20-14-8-4-2-6-12(14)18-16(20)10-19(13)15/h1-10H,(H,17,18)/q+1/p+1
InChIKey
QDNACSIWNKAHPW-UHFFFAOYSA-O
Compound name
10,20-diaza-3,13-diazoniapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4,6,8,12,14,16,18-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1062 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11348 158.5
[M+Na]+ 283.09542 171.7
[M-H]- 259.09892 161.0
[M+NH4]+ 278.14002 175.6
[M+K]+ 299.06936 152.8
[M+H-H2O]+ 243.10346 155.1
[M+HCOO]- 305.10440 176.3
[M+CH3COO]- 319.12005 170.0
[M+Na-2H]- 281.08087 172.7
[M]+ 260.10565 159.3
[M]- 260.10675 159.3
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.