CID 135570465

Brn 1577038

Structural Information

Molecular Formula
C14H17N3O
SMILES
C1CCCN(CC1)C2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C14H17N3O/c18-13-11-7-3-4-8-12(11)15-14(16-13)17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-10H2,(H,15,16,18)
InChIKey
BRZPQZNBWGNNHD-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

243.13716 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 155.4
[M+Na]+ 266.12638 161.2
[M-H]- 242.12988 158.2
[M+NH4]+ 261.17098 167.9
[M+K]+ 282.10032 159.9
[M+H-H2O]+ 226.13442 145.8
[M+HCOO]- 288.13536 169.8
[M+CH3COO]- 302.15101 165.0
[M+Na-2H]- 264.11183 161.1
[M]+ 243.13661 147.4
[M]- 243.13771 147.4
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

patents stripe