CID 90462880

1629013-22-4

Structural Information

Molecular Formula
C20H38N4O2
SMILES
CCOCC1(CCC(CC1)C2=C(C=NN2)CN(C)CCNC)COCC
InChI
InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23)
InChIKey
SPEGERVLTUWZPA-UHFFFAOYSA-N
Compound name
N'-[[5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

283
Patents

366.29947 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.30675 193.2
[M+Na]+ 389.28869 199.5
[M+NH4]+ 384.33329 199.6
[M+K]+ 405.26263 193.3
[M-H]- 365.29219 195.0
[M+Na-2H]- 387.27414 197.2
[M]+ 366.29892 194.2
[M]- 366.30002 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe