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]+ 263.15428 165.7
[M+Na]+ 285.13622 174.9
[M-H]- 261.13972 167.6
[M+NH4]+ 280.18082 183.6
[M+K]+ 301.11016 171.3
[M+H-H2O]+ 245.14426 152.5
[M+HCOO]- 307.14520 177.4
[M+CH3COO]- 321.16085 176.2
[M+Na-2H]- 283.12167 174.4
[M]+ 262.14645 178.9
[M]- 262.14755 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.