CID 361902

Nsc625314

Structural Information

Molecular Formula
C21H26N2
SMILES
CC1=CC(=C2C(=C1C)CN3CN2CC4=C(C(=CC(=C43)C)C)C)C
InChI
InChI=1S/C21H26N2/c1-12-7-14(3)20-18(16(12)5)9-22-11-23(20)10-19-17(6)13(2)8-15(4)21(19)22/h7-8H,9-11H2,1-6H3
InChIKey
RVGCVLJCTZLHLY-UHFFFAOYSA-N
Compound name
3,5,6,11,13,14-hexamethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2096 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.21688 179.8
[M+Na]+ 329.19882 190.3
[M-H]- 305.20232 182.1
[M+NH4]+ 324.24342 196.9
[M+K]+ 345.17276 183.5
[M+H-H2O]+ 289.20686 170.7
[M+HCOO]- 351.20780 191.7
[M+CH3COO]- 365.22345 190.0
[M+Na-2H]- 327.18427 182.3
[M]+ 306.20905 181.2
[M]- 306.21015 181.2
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.