CID 16227677

929974-71-0

Structural Information

Molecular Formula
C13H21N5
SMILES
CC1=C(N(C(=C1C#N)N)CCN2CCNCC2)C
InChI
InChI=1S/C13H21N5/c1-10-11(2)18(13(15)12(10)9-14)8-7-17-5-3-16-4-6-17/h16H,3-8,15H2,1-2H3
InChIKey
YZYZIZCMDVHBNB-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethyl-1-(2-piperazin-1-ylethyl)pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.1797 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18698 156.7
[M+Na]+ 270.16892 164.5
[M-H]- 246.17242 156.1
[M+NH4]+ 265.21352 169.0
[M+K]+ 286.14286 159.4
[M+H-H2O]+ 230.17696 141.0
[M+HCOO]- 292.17790 169.5
[M+CH3COO]- 306.19355 206.5
[M+Na-2H]- 268.15437 156.0
[M]+ 247.17915 146.6
[M]- 247.18025 146.6
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.