CID 453589

136722-81-1

Structural Information

Molecular Formula
C18H26N4
SMILES
CC1CN2C3=C(CN1CC=C(C)C)C=CC=C3N=C2N(C)C
InChI
InChI=1S/C18H26N4/c1-13(2)9-10-21-12-15-7-6-8-16-17(15)22(11-14(21)3)18(19-16)20(4)5/h6-9,14H,10-12H2,1-5H3
InChIKey
XPRRAZOZAHQIHS-UHFFFAOYSA-N
Compound name
N,N,11-trimethyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.21576 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22304 174.0
[M+Na]+ 321.20498 181.7
[M-H]- 297.20848 178.0
[M+NH4]+ 316.24958 189.8
[M+K]+ 337.17892 180.9
[M+H-H2O]+ 281.21302 165.0
[M+HCOO]- 343.21396 191.1
[M+CH3COO]- 357.22961 184.4
[M+Na-2H]- 319.19043 175.8
[M]+ 298.21521 175.0
[M]- 298.21631 175.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.