CID 204213

15932-34-0

Structural Information

Molecular Formula
C15H14N2
SMILES
CC1=CC2=C(C=C1)N3C=CN=C4C3=C2CCC4
InChI
InChI=1S/C15H14N2/c1-10-5-6-14-12(9-10)11-3-2-4-13-15(11)17(14)8-7-16-13/h5-9H,2-4H2,1H3
InChIKey
ZHTWYYQXWNZIMN-UHFFFAOYSA-N
Compound name
12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-2,4,9(16),10(15),11,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

222.11569 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.12297 148.8
[M+Na]+ 245.10491 159.4
[M-H]- 221.10841 152.2
[M+NH4]+ 240.14951 170.0
[M+K]+ 261.07885 153.7
[M+H-H2O]+ 205.11295 140.7
[M+HCOO]- 267.11389 167.5
[M+CH3COO]- 281.12954 161.7
[M+Na-2H]- 243.09036 156.9
[M]+ 222.11514 150.3
[M]- 222.11624 150.3
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

No patent data available for this compound.