CID 453588

136722-80-0

Structural Information

Molecular Formula
C17H24N4
SMILES
CC1CN2C3=C(CN1CC=C(C)C)C=CC=C3N=C2NC
InChI
InChI=1S/C17H24N4/c1-12(2)8-9-20-11-14-6-5-7-15-16(14)21(10-13(20)3)17(18-4)19-15/h5-8,13H,9-11H2,1-4H3,(H,18,19)
InChIKey
DLPSRMHYLNFVTE-UHFFFAOYSA-N
Compound name
N,11-dimethyl-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

284.2001 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20738 170.8
[M+Na]+ 307.18932 178.8
[M-H]- 283.19282 173.5
[M+NH4]+ 302.23392 186.5
[M+K]+ 323.16326 176.9
[M+H-H2O]+ 267.19736 162.0
[M+HCOO]- 329.19830 187.7
[M+CH3COO]- 343.21395 181.0
[M+Na-2H]- 305.17477 173.6
[M]+ 284.19955 170.3
[M]- 284.20065 170.3
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.