CID 13482092

Brn 4573488

Structural Information

Molecular Formula
C18H18N6O3
SMILES
COC1=C(C=C(C=C1)C2=NN(N=N2)CC(=O)N/N=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C18H18N6O3/c1-26-15-9-8-14(10-16(15)27-2)18-21-23-24(22-18)12-17(25)20-19-11-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,25)/b19-11+
InChIKey
OAJIIGXROBDEOB-YBFXNURJSA-N
Compound name
N-[(E)-benzylideneamino]-2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.14404 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15132 184.4
[M+Na]+ 389.13326 191.5
[M-H]- 365.13676 190.8
[M+NH4]+ 384.17786 192.5
[M+K]+ 405.10720 187.3
[M+H-H2O]+ 349.14130 171.8
[M+HCOO]- 411.14224 207.5
[M+CH3COO]- 425.15789 220.7
[M+Na-2H]- 387.11871 188.7
[M]+ 366.14349 188.5
[M]- 366.14459 188.5
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.