CID 5274560

1-[4-(1h-tetrazol-5-yl)phenyl]-5,9b-dihydro-4ah-pyrido[3,2-b]indol-2-one

Structural Information

Molecular Formula
C18H14N6O
SMILES
C1=CC=C2C(=C1)C3C(N2)C=CC(=O)N3C4=CC=C(C=C4)C5=NNN=N5
InChI
InChI=1S/C18H14N6O/c25-16-10-9-15-17(13-3-1-2-4-14(13)19-15)24(16)12-7-5-11(6-8-12)18-20-22-23-21-18/h1-10,15,17,19H,(H,20,21,22,23)
InChIKey
PSSNKQUKVUMNKC-UHFFFAOYSA-N
Compound name
1-[4-(2H-tetrazol-5-yl)phenyl]-5,9b-dihydro-4aH-pyrido[3,2-b]indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1229 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13018 178.0
[M+Na]+ 353.11212 187.5
[M-H]- 329.11562 180.2
[M+NH4]+ 348.15672 187.3
[M+K]+ 369.08606 178.7
[M+H-H2O]+ 313.12016 166.5
[M+HCOO]- 375.12110 189.7
[M+CH3COO]- 389.13675 186.2
[M+Na-2H]- 351.09757 179.3
[M]+ 330.12235 174.1
[M]- 330.12345 174.1
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.