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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	223.122966	148.8
[M+Na]+	245.104908	159.4
[M-H]-	221.108414	152.2
[M+NH4]+	240.149513	170.0
[M+K]+	261.078848	153.7
[M+H-H2O]+	205.112950	140.7
[M+HCOO]-	267.113891	167.5
[M+CH3COO]-	281.129541	161.7
[M+Na-2H]-	243.090356	156.9
[M]+	222.11514142	150.3
[M]-	222.11623858	150.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.