CID 452847

131515-16-7

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CC1CN2C3=C(CN1CCOC(C)C)C=CC=C3NC2=O
InChI
InChI=1S/C16H23N3O2/c1-11(2)21-8-7-18-10-13-5-4-6-14-15(13)19(9-12(18)3)16(20)17-14/h4-6,11-12H,7-10H2,1-3H3,(H,17,20)
InChIKey
UVOYSMDPQWGMBM-UHFFFAOYSA-N
Compound name
11-methyl-10-(2-propan-2-yloxyethyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.17902 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18630 168.4
[M+Na]+ 312.16824 176.7
[M-H]- 288.17174 169.9
[M+NH4]+ 307.21284 183.3
[M+K]+ 328.14218 175.6
[M+H-H2O]+ 272.17628 160.3
[M+HCOO]- 334.17722 183.5
[M+CH3COO]- 348.19287 178.6
[M+Na-2H]- 310.15369 170.9
[M]+ 289.17847 169.2
[M]- 289.17957 169.2
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.