CID 5275111

N-[2-[[2-[[1-(1-naphthyl)tetrazol-5-yl]amino]acetyl]amino]phenyl]methanimine oxide

Structural Information

Molecular Formula
C20H17N7O2
SMILES
C=[N+](C1=CC=CC=C1NC(=O)CNC2=NN=NN2C3=CC=CC4=CC=CC=C43)[O-]
InChI
InChI=1S/C20H17N7O2/c1-26(29)18-11-5-4-10-16(18)22-19(28)13-21-20-23-24-25-27(20)17-12-6-8-14-7-2-3-9-15(14)17/h2-12H,1,13H2,(H,22,28)(H,21,23,25)
InChIKey
LIZYRJDCMKMLON-UHFFFAOYSA-N
Compound name
N-[2-[[2-[(1-naphthalen-1-yltetrazol-5-yl)amino]acetyl]amino]phenyl]methanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.14438 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15166 184.7
[M+Na]+ 410.13360 190.2
[M-H]- 386.13710 191.0
[M+NH4]+ 405.17820 191.1
[M+K]+ 426.10754 179.2
[M+H-H2O]+ 370.14164 176.6
[M+HCOO]- 432.14258 206.7
[M+CH3COO]- 446.15823 218.2
[M+Na-2H]- 408.11905 194.5
[M]+ 387.14383 182.8
[M]- 387.14493 182.8
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.