CID 15916807

Einecs 296-234-8

Structural Information

Molecular Formula
C14H16N2
SMILES
C1CC2C3=C(CCN2)C4=CC=CC=C4N3C1
InChI
InChI=1S/C14H16N2/c1-2-6-13-10(4-1)11-7-8-15-12-5-3-9-16(13)14(11)12/h1-2,4,6,12,15H,3,5,7-9H2
InChIKey
LDRRAHYWDNFTQD-UHFFFAOYSA-N
Compound name
1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10,12,14-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

212.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.138626 145.8
[M+Na]+ 235.120568 153.5
[M-H]- 211.124074 146.8
[M+NH4]+ 230.165173 166.2
[M+K]+ 251.094508 147.5
[M+H-H2O]+ 195.128610 137.9
[M+HCOO]- 257.129551 160.5
[M+CH3COO]- 271.145201 157.0
[M+Na-2H]- 233.106016 152.8
[M]+ 212.13080142 141.9
[M]- 212.13189858 141.9
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

patents stripe