CID 206814

Brn 0754553

Structural Information

Molecular Formula
C14H17N3O
SMILES
CN(C)CC1=CN2CCC(=O)NC3=CC=CC1=C32
InChI
InChI=1S/C14H17N3O/c1-16(2)8-10-9-17-7-6-13(18)15-12-5-3-4-11(10)14(12)17/h3-5,9H,6-8H2,1-2H3,(H,15,18)
InChIKey
ONKWUZYEKDTIKR-UHFFFAOYSA-N
Compound name
3-[(dimethylamino)methyl]-1,9-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.13716 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 155.2
[M+Na]+ 266.12638 163.1
[M-H]- 242.12988 159.3
[M+NH4]+ 261.17098 173.3
[M+K]+ 282.10032 162.8
[M+H-H2O]+ 226.13442 148.1
[M+HCOO]- 288.13536 174.6
[M+CH3COO]- 302.15101 166.9
[M+Na-2H]- 264.11183 160.4
[M]+ 243.13661 154.3
[M]- 243.13771 154.3
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.