CID 9671767

4-tert-butyl-n-{4-[((2e)-2-{1-[4-(1h-tetraazol-1-yl)phenyl]ethylidene}hydrazino)carbonyl]phenyl}benzamide

Structural Information

Molecular Formula
C27H27N7O2
SMILES
C/C(=N\NC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)/C3=CC=C(C=C3)N4C=NN=N4
InChI
InChI=1S/C27H27N7O2/c1-18(19-9-15-24(16-10-19)34-17-28-32-33-34)30-31-26(36)21-7-13-23(14-8-21)29-25(35)20-5-11-22(12-6-20)27(2,3)4/h5-17H,1-4H3,(H,29,35)(H,31,36)/b30-18+
InChIKey
KOSFAYGYVYJGAD-UXHLAJHPSA-N
Compound name
4-tert-butyl-N-[4-[[(E)-1-[4-(tetrazol-1-yl)phenyl]ethylideneamino]carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.22263 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.22991 216.2
[M+Na]+ 504.21185 219.7
[M-H]- 480.21535 225.5
[M+NH4]+ 499.25645 218.7
[M+K]+ 520.18579 214.0
[M+H-H2O]+ 464.21989 202.8
[M+HCOO]- 526.22083 234.8
[M+CH3COO]- 540.23648 246.0
[M+Na-2H]- 502.19730 218.7
[M]+ 481.22208 216.2
[M]- 481.22318 216.2
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.