CID 4404942

Hydrazinecarboxamide, n,n'-1,6-hexanediylbis[2,2-dimethyl-

Structural Information

Molecular Formula
C12H28N6O2
SMILES
CN(C)NC(=O)NCCCCCCNC(=O)NN(C)C
InChI
InChI=1S/C12H28N6O2/c1-17(2)15-11(19)13-9-7-5-6-8-10-14-12(20)16-18(3)4/h5-10H2,1-4H3,(H2,13,15,19)(H2,14,16,20)
InChIKey
VETHREXFBVHLJJ-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-[6-(dimethylaminocarbamoylamino)hexyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

454
Patents

288.2274 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.23468 172.7
[M+Na]+ 311.21662 172.8
[M-H]- 287.22012 174.8
[M+NH4]+ 306.26122 187.4
[M+K]+ 327.19056 175.2
[M+H-H2O]+ 271.22466 163.4
[M+HCOO]- 333.22560 200.2
[M+CH3COO]- 347.24125 224.0
[M+Na-2H]- 309.20207 174.0
[M]+ 288.22685 173.5
[M]- 288.22795 173.5
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