CID 1150897

349085-38-7

Structural Information

Molecular Formula
C18H21N5O3
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
InChI
InChI=1S/C18H21N5O3/c1-11(2)12-5-7-13(8-6-12)20-14(24)9-23-10-19-16-15(23)17(25)22(4)18(26)21(16)3/h5-8,10-11H,9H2,1-4H3,(H,20,24)
InChIKey
HEQDZPHDVAOBLN-UHFFFAOYSA-N
Compound name
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(4-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

183
References

131
Patents

355.16443 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17171 184.9
[M+Na]+ 378.15365 196.3
[M-H]- 354.15715 189.2
[M+NH4]+ 373.19825 195.5
[M+K]+ 394.12759 191.0
[M+H-H2O]+ 338.16169 175.0
[M+HCOO]- 400.16263 204.4
[M+CH3COO]- 414.17828 219.6
[M+Na-2H]- 376.13910 186.1
[M]+ 355.16388 190.8
[M]- 355.16498 190.8
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

patents stripe