CID 65970

Andolast

Structural Information

Molecular Formula
C15H11N9O
SMILES
C1=CC(=CC=C1C2=NNN=N2)C(=O)NC3=CC=C(C=C3)C4=NNN=N4
InChI
InChI=1S/C15H11N9O/c25-15(11-3-1-9(2-4-11)13-17-21-22-18-13)16-12-7-5-10(6-8-12)14-19-23-24-20-14/h1-8H,(H,16,25)(H,17,18,21,22)(H,19,20,23,24)
InChIKey
VXEBMQZDPONDFB-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yl)-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

686
Patents

333.10864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11592 169.1
[M+Na]+ 356.09786 183.1
[M+NH4]+ 351.14246 172.5
[M+K]+ 372.07180 182.6
[M-H]- 332.10136 171.1
[M+Na-2H]- 354.08331 179.8
[M]+ 333.10809 171.3
[M]- 333.10919 171.3
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