CID 5861256

4-tert-butyl-n'-(1-(4-(1h-tetraazol-1-yl)phenyl)ethylidene)benzohydrazide

Structural Information

Molecular Formula
C20H22N6O
SMILES
C/C(=N\NC(=O)C1=CC=C(C=C1)C(C)(C)C)/C2=CC=C(C=C2)N3C=NN=N3
InChI
InChI=1S/C20H22N6O/c1-14(15-7-11-18(12-8-15)26-13-21-24-25-26)22-23-19(27)16-5-9-17(10-6-16)20(2,3)4/h5-13H,1-4H3,(H,23,27)/b22-14+
InChIKey
UAJZSHNAXSNJMU-HYARGMPZSA-N
Compound name
4-tert-butyl-N-[(E)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.18552 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.19280 188.8
[M+Na]+ 385.17474 194.8
[M-H]- 361.17824 195.2
[M+NH4]+ 380.21934 197.3
[M+K]+ 401.14868 189.9
[M+H-H2O]+ 345.18278 177.0
[M+HCOO]- 407.18372 208.4
[M+CH3COO]- 421.19937 221.7
[M+Na-2H]- 383.16019 192.6
[M]+ 362.18497 189.4
[M]- 362.18607 189.4
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.