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

7
References

704
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 170.6
[M+Na]+ 356.09786 179.9
[M-H]- 332.10136 173.1
[M+NH4]+ 351.14246 174.5
[M+K]+ 372.07180 171.7
[M+H-H2O]+ 316.10590 158.0
[M+HCOO]- 378.10684 186.6
[M+CH3COO]- 392.12249 178.9
[M+Na-2H]- 354.08331 175.4
[M]+ 333.10809 168.7
[M]- 333.10919 168.7
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