CID 3069089

84298-37-3

Structural Information

Molecular Formula
C15H17N3
SMILES
CC1CC2=C3C(=N1)N(CCN3C4=CC=CC=C24)C
InChI
InChI=1S/C15H17N3/c1-10-9-12-11-5-3-4-6-13(11)18-8-7-17(2)15(16-10)14(12)18/h3-6,10H,7-9H2,1-2H3
InChIKey
GBQKNSFMHISJFP-UHFFFAOYSA-N
Compound name
4,7-dimethyl-1,4,6-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,9(16),10,12,14-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.14224 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.149516 156.3
[M+Na]+ 262.131458 166.7
[M-H]- 238.134964 158.1
[M+NH4]+ 257.176063 175.5
[M+K]+ 278.105398 160.9
[M+H-H2O]+ 222.139500 147.3
[M+HCOO]- 284.140441 172.0
[M+CH3COO]- 298.156091 168.0
[M+Na-2H]- 260.116906 162.3
[M]+ 239.14169142 157.2
[M]- 239.14278858 157.2
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.