CID 3080005

126861-32-3

Structural Information

Molecular Formula
C17H15N7O2
SMILES
CC(C)C1=CN2C(=NC3=C(C2=O)C=C(C=C3)C(=O)NC4=NNN=N4)C=C1
InChI
InChI=1S/C17H15N7O2/c1-9(2)11-4-6-14-18-13-5-3-10(7-12(13)16(26)24(14)8-11)15(25)19-17-20-22-23-21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,25)
InChIKey
HKTWEOQVKMAJQK-UHFFFAOYSA-N
Compound name
11-oxo-8-propan-2-yl-N-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.12872 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.13600 179.5
[M+Na]+ 372.11794 194.2
[M+NH4]+ 367.16254 184.0
[M+K]+ 388.09188 190.7
[M-H]- 348.12144 180.4
[M+Na-2H]- 370.10339 185.8
[M]+ 349.12817 181.6
[M]- 349.12927 181.6
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.