CID 496570

Nsc694529

Structural Information

Molecular Formula
C18H18N2
SMILES
CC1(C2CC1C3=CC4=C(C=C3C2)N=C5N4C=CC=C5)C
InChI
InChI=1S/C18H18N2/c1-18(2)12-7-11-8-15-16(10-13(11)14(18)9-12)20-6-4-3-5-17(20)19-15/h3-6,8,10,12,14H,7,9H2,1-2H3
InChIKey
LKOQMXPWPPBWMA-UHFFFAOYSA-N
Compound name
17,17-dimethyl-5,11-diazapentacyclo[14.1.1.02,14.04,12.05,10]octadeca-2,4(12),6,8,10,13-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.147 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.154276 165.7
[M+Na]+ 285.136218 174.9
[M-H]- 261.139724 167.6
[M+NH4]+ 280.180823 183.6
[M+K]+ 301.110158 171.3
[M+H-H2O]+ 245.144260 152.5
[M+HCOO]- 307.145201 177.4
[M+CH3COO]- 321.160851 176.2
[M+Na-2H]- 283.121666 174.4
[M]+ 262.14645142 178.9
[M]- 262.14754858 178.9
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

No patent data available for this compound.