CID 13241180

88562-47-4

Structural Information

Molecular Formula
C16H14N6O
SMILES
CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C4=NNN=N4
InChI
InChI=1S/C16H14N6O/c1-9(2)10-3-5-13-12(7-10)16(23)22-8-11(4-6-14(22)17-13)15-18-20-21-19-15/h3-9H,1-2H3,(H,18,19,20,21)
InChIKey
PSBJNAVROXYISE-UHFFFAOYSA-N
Compound name
2-propan-2-yl-8-(2H-tetrazol-5-yl)pyrido[2,1-b]quinazolin-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

306.1229 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.13018 174.4
[M+Na]+ 329.11212 186.9
[M-H]- 305.11562 175.2
[M+NH4]+ 324.15672 184.3
[M+K]+ 345.08606 178.8
[M+H-H2O]+ 289.12016 163.3
[M+HCOO]- 351.12110 189.1
[M+CH3COO]- 365.13675 184.2
[M+Na-2H]- 327.09757 180.3
[M]+ 306.12235 176.6
[M]- 306.12345 176.6
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

patents stripe