CID 3060557

Wp152

Structural Information

Molecular Formula
C17H37N6OP
SMILES
CCCCCCCCCCCC1=NN(C(=N1)N)P(=O)(N(C)C)N(C)C
InChI
InChI=1S/C17H37N6OP/c1-6-7-8-9-10-11-12-13-14-15-16-19-17(18)23(20-16)25(24,21(2)3)22(4)5/h6-15H2,1-5H3,(H2,18,19,20)
InChIKey
IMYXRURXTAWXOA-UHFFFAOYSA-N
Compound name
2-[bis(dimethylamino)phosphoryl]-5-undecyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.27664 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28392 197.9
[M+Na]+ 395.26586 200.7
[M-H]- 371.26936 198.0
[M+NH4]+ 390.31046 209.0
[M+K]+ 411.23980 199.9
[M+H-H2O]+ 355.27390 185.3
[M+HCOO]- 417.27484 223.8
[M+CH3COO]- 431.29049 235.3
[M+Na-2H]- 393.25131 194.5
[M]+ 372.27609 204.1
[M]- 372.27719 204.1
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.