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

324
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 191.3
[M+Na]+ 389.28869 192.5
[M-H]- 365.29219 193.5
[M+NH4]+ 384.33329 203.9
[M+K]+ 405.26263 189.8
[M+H-H2O]+ 349.29673 181.6
[M+HCOO]- 411.29767 209.0
[M+CH3COO]- 425.31332 222.8
[M+Na-2H]- 387.27414 190.8
[M]+ 366.29892 191.9
[M]- 366.30002 191.9
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.