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 182.6
[M+Na]+ 372.11794 193.3
[M-H]- 348.12144 183.7
[M+NH4]+ 367.16254 190.2
[M+K]+ 388.09188 186.0
[M+H-H2O]+ 332.12598 171.5
[M+HCOO]- 394.12692 197.5
[M+CH3COO]- 408.14257 191.4
[M+Na-2H]- 370.10339 188.3
[M]+ 349.12817 184.6
[M]- 349.12927 184.6
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.