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 193.6
[M+Na]+ 395.26586 198.3
[M+NH4]+ 390.31046 196.6
[M+K]+ 411.23980 196.4
[M-H]- 371.26936 192.6
[M+Na-2H]- 393.25131 194.2
[M]+ 372.27609 193.3
[M]- 372.27719 193.3
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.