CID 72768

20627-27-4

Structural Information

Molecular Formula
C14H21N3O
SMILES
CC1=CC=C(N1NC(=O)CN(CC=C)CC=C)C
InChI
InChI=1S/C14H21N3O/c1-5-9-16(10-6-2)11-14(18)15-17-12(3)7-8-13(17)4/h5-8H,1-2,9-11H2,3-4H3,(H,15,18)
InChIKey
LJJAJDMZXHQKFD-UHFFFAOYSA-N
Compound name
2-[bis(prop-2-enyl)amino]-N-(2,5-dimethylpyrrol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

247.16846 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.17574 161.1
[M+Na]+ 270.15768 167.1
[M-H]- 246.16118 164.6
[M+NH4]+ 265.20228 179.2
[M+K]+ 286.13162 164.6
[M+H-H2O]+ 230.16572 153.4
[M+HCOO]- 292.16666 185.8
[M+CH3COO]- 306.18231 204.2
[M+Na-2H]- 268.14313 161.7
[M]+ 247.16791 163.1
[M]- 247.16901 163.1
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

No patent data available for this compound.