CID 92136227

Ms023

Structural Information

Molecular Formula
C17H25N3O
SMILES
CC(C)OC1=CC=C(C=C1)C2=CNC=C2CN(C)CCN
InChI
InChI=1S/C17H25N3O/c1-13(2)21-16-6-4-14(5-7-16)17-11-19-10-15(17)12-20(3)9-8-18/h4-7,10-11,13,19H,8-9,12,18H2,1-3H3
InChIKey
FMTVWAGUJRUAKE-UHFFFAOYSA-N
Compound name
N'-methyl-N'-[[4-(4-propan-2-yloxyphenyl)-1H-pyrrol-3-yl]methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

65
Patents

287.19977 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.207046 171.1
[M+Na]+ 310.188988 175.7
[M-H]- 286.192494 175.8
[M+NH4]+ 305.233593 186.3
[M+K]+ 326.162928 172.4
[M+H-H2O]+ 270.197030 162.3
[M+HCOO]- 332.197971 193.6
[M+CH3COO]- 346.213621 208.8
[M+Na-2H]- 308.174436 171.2
[M]+ 287.19922142 171.1
[M]- 287.20031858 171.1
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.