CID 4962013

852400-21-6

Structural Information

Molecular Formula
C14H18ClN3O2
SMILES
CC1=C(N(C(=C1C#N)NC(=O)CCl)CC2CCCO2)C
InChI
InChI=1S/C14H18ClN3O2/c1-9-10(2)18(8-11-4-3-5-20-11)14(12(9)7-16)17-13(19)6-15/h11H,3-6,8H2,1-2H3,(H,17,19)
InChIKey
RUMMPBZURAHDSD-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-cyano-4,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.10876 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11604 169.2
[M+Na]+ 318.09798 179.0
[M-H]- 294.10148 173.8
[M+NH4]+ 313.14258 184.3
[M+K]+ 334.07192 174.2
[M+H-H2O]+ 278.10602 155.7
[M+HCOO]- 340.10696 182.6
[M+CH3COO]- 354.12261 213.3
[M+Na-2H]- 316.08343 167.3
[M]+ 295.10821 166.6
[M]- 295.10931 166.6
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.