CID 68617604

748812-53-5

Structural Information

Molecular Formula
C25H30N6O2
SMILES
CCCCC(=O)NC1(CCCC1)C(=O)NCC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4
InChI
InChI=1S/C25H30N6O2/c1-2-3-10-22(32)27-25(15-6-7-16-25)24(33)26-17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-28-30-31-29-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,26,33)(H,27,32)(H,28,29,30,31)
InChIKey
PAKGYCNZUGIDHV-UHFFFAOYSA-N
Compound name
1-(pentanoylamino)-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]cyclopentane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

446.243 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.25028 206.4
[M+Na]+ 469.23222 215.2
[M+NH4]+ 464.27682 211.5
[M+K]+ 485.20616 211.3
[M-H]- 445.23572 210.4
[M+Na-2H]- 467.21767 214.8
[M]+ 446.24245 208.4
[M]- 446.24355 208.4
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

patents stripe