CID 22634612

289708-48-1

Structural Information

Molecular Formula
C14H18N4O2
SMILES
CC1=CC=C(N1NC(=O)C(=O)NN2C(=CC=C2C)C)C
InChI
InChI=1S/C14H18N4O2/c1-9-5-6-10(2)17(9)15-13(19)14(20)16-18-11(3)7-8-12(18)4/h5-8H,1-4H3,(H,15,19)(H,16,20)
InChIKey
ZKIZSQINSUMBTN-UHFFFAOYSA-N
Compound name
N,N'-bis(2,5-dimethylpyrrol-1-yl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

274.14297 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.150246 163.7
[M+Na]+ 297.132188 172.8
[M-H]- 273.135694 169.8
[M+NH4]+ 292.176793 181.0
[M+K]+ 313.106128 170.1
[M+H-H2O]+ 257.140230 155.8
[M+HCOO]- 319.141171 189.4
[M+CH3COO]- 333.156821 204.1
[M+Na-2H]- 295.117636 163.7
[M]+ 274.14242142 167.0
[M]- 274.14351858 167.0
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

patents stripe