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 167.7
[M+Na]+ 304.17842 175.5
[M-H]- 280.18192 169.1
[M+NH4]+ 299.22302 186.5
[M+K]+ 320.15236 168.0
[M+H-H2O]+ 264.18646 159.0
[M+HCOO]- 326.18740 178.6
[M+CH3COO]- 340.20305 177.1
[M+Na-2H]- 302.16387 168.4
[M]+ 281.18865 162.8
[M]- 281.18975 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.