CID 3065512

108206-25-3

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]+ 282.196476 167.7
[M+Na]+ 304.178418 175.5
[M-H]- 280.181924 169.1
[M+NH4]+ 299.223023 186.5
[M+K]+ 320.152358 168.0
[M+H-H2O]+ 264.186460 159.0
[M+HCOO]- 326.187401 178.6
[M+CH3COO]- 340.203051 177.1
[M+Na-2H]- 302.163866 168.4
[M]+ 281.18865142 162.8
[M]- 281.18974858 162.8
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.