CID 49767919

1-(ethoxymethyl)-5,5-dimethyl-8-tetralin-1-yl-6,7,8,8a-tetrahydro-4ah-quinazoline-2,4-dione

Structural Information

Molecular Formula
C23H32N2O3
SMILES
CCOCN1C2C(CCC(C2C(=O)NC1=O)(C)C)C3CCCC4=CC=CC=C34
InChI
InChI=1S/C23H32N2O3/c1-4-28-14-25-20-18(17-11-7-9-15-8-5-6-10-16(15)17)12-13-23(2,3)19(20)21(26)24-22(25)27/h5-6,8,10,17-20H,4,7,9,11-14H2,1-3H3,(H,24,26,27)
InChIKey
AFNPKNWAKWYSFD-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5,5-dimethyl-8-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,8a-tetrahydro-4aH-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2413 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.248576 197.8
[M+Na]+ 407.230518 202.1
[M-H]- 383.234024 200.1
[M+NH4]+ 402.275123 209.7
[M+K]+ 423.204458 196.0
[M+H-H2O]+ 367.238560 187.2
[M+HCOO]- 429.239501 204.6
[M+CH3COO]- 443.255151 221.5
[M+Na-2H]- 405.215966 196.4
[M]+ 384.24075142 191.8
[M]- 384.24184858 191.8
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.