CID 2472

Bunazosin

Structural Information

Molecular Formula
C19H27N5O3
SMILES
CCCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
InChI
InChI=1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)
InChIKey
RHLJLALHBZGAFM-UHFFFAOYSA-N
Compound name
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

264
References

8569
Patents

373.2114 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.21868 191.9
[M+Na]+ 396.20062 197.4
[M-H]- 372.20412 194.7
[M+NH4]+ 391.24522 198.9
[M+K]+ 412.17456 198.1
[M+H-H2O]+ 356.20866 179.7
[M+HCOO]- 418.20960 204.6
[M+CH3COO]- 432.22525 222.0
[M+Na-2H]- 394.18607 192.3
[M]+ 373.21085 189.5
[M]- 373.21195 189.5
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