CID 204320

16154-77-1

Structural Information

Molecular Formula
C14H16N2
SMILES
C1CC2C3=C(C1)C4=CC=CC=C4N3CCN2
InChI
InChI=1S/C14H16N2/c1-2-7-13-10(4-1)11-5-3-6-12-14(11)16(13)9-8-15-12/h1-2,4,7,12,15H,3,5-6,8-9H2
InChIKey
FPJQYYCGLQSBMU-UHFFFAOYSA-N
Compound name
1,4-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

6
References

9
Patents

212.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.13863 145.8
[M+Na]+ 235.12057 153.5
[M-H]- 211.12407 146.8
[M+NH4]+ 230.16517 166.2
[M+K]+ 251.09451 147.5
[M+H-H2O]+ 195.12861 137.9
[M+HCOO]- 257.12955 160.5
[M+CH3COO]- 271.14520 157.0
[M+Na-2H]- 233.10602 152.8
[M]+ 212.13080 141.9
[M]- 212.13190 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

literature stripe

Patent stripe

patents stripe