CID 71316518

2-butyl-5-chloro-3-[[4-[2-[2-(1-ethoxyethyl)tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carbaldehyde

Structural Information

Molecular Formula
C26H29ClN6O2
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)C(C)OCC)C=O)Cl
InChI
InChI=1S/C26H29ClN6O2/c1-4-6-11-24-28-25(27)23(17-34)32(24)16-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-33(30-26)18(3)35-5-2/h7-10,12-15,17-18H,4-6,11,16H2,1-3H3
InChIKey
SIUCBZKBNAMBCG-UHFFFAOYSA-N
Compound name
2-butyl-5-chloro-3-[[4-[2-[2-(1-ethoxyethyl)tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.20404 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.21132 219.1
[M+Na]+ 515.19326 228.6
[M-H]- 491.19676 225.3
[M+NH4]+ 510.23786 222.4
[M+K]+ 531.16720 219.9
[M+H-H2O]+ 475.20130 205.0
[M+HCOO]- 537.20224 231.0
[M+CH3COO]- 551.21789 226.2
[M+Na-2H]- 513.17871 214.2
[M]+ 492.20349 228.2
[M]- 492.20459 228.2
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.