CID 3065512

Brn 4201658

Structural Information

Molecular Formula
C18H23N3
SMILES
CC1N2CCCCC2C3N1CCC4=C3NC5=CC=CC=C45
InChI
InChI=1S/C18H23N3/c1-12-20-10-5-4-8-16(20)18-17-14(9-11-21(12)18)13-6-2-3-7-15(13)19-17/h2-3,6-7,12,16,18-19H,4-5,8-11H2,1H3
InChIKey
SIDCKPFHNJQSKE-UHFFFAOYSA-N
Compound name
9-methyl-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.19648 168.6
[M+Na]+ 304.17842 181.2
[M+NH4]+ 299.22302 178.8
[M+K]+ 320.15236 176.3
[M-H]- 280.18192 171.1
[M+Na-2H]- 302.16387 170.1
[M]+ 281.18865 171.0
[M]- 281.18975 171.0
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.