CID 214785

Brn 0393813

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C2C(C3=C(C=CC2=C1)N=CC=C3)N
InChI
InChI=1S/C14H12N2/c15-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-16-13/h1-9,14H,15H2
InChIKey
MXUUQJCFZASSPM-UHFFFAOYSA-N
Compound name
7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10005 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.10733 143.4
[M+Na]+ 231.08927 151.7
[M-H]- 207.09277 148.8
[M+NH4]+ 226.13387 161.8
[M+K]+ 247.06321 150.9
[M+H-H2O]+ 191.09731 137.7
[M+HCOO]- 253.09825 164.7
[M+CH3COO]- 267.11390 156.0
[M+Na-2H]- 229.07472 153.0
[M]+ 208.09950 139.5
[M]- 208.10060 139.5
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.