CID 3034439

Brn 6877046

Structural Information

Molecular Formula

C₁₄H₂₇N₅O₃P

SMILES

CC1(CC(CC(N1[O])(C)C)NC(=O)NP(=O)(N2CC2)N3CC3)C

InChI

InChI=1S/C14H27N5O3P/c1-13(2)9-11(10-14(3,4)19(13)21)15-12(20)16-23(22,17-5-6-17)18-7-8-18/h11H,5-10H2,1-4H3,(H2,15,16,20,22)

InChIKey

DBNFXLUBBPXNRJ-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 344.18515 Da
Monoisotopic Mass: -0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	345.19243	199.1
[M+Na]+	367.17437	204.0
[M-H]-	343.17787	203.4
[M+NH4]+	362.21897	201.9
[M+K]+	383.14831	203.1
[M+H-H2O]+	327.18241	192.5
[M+HCOO]-	389.18335	215.4
[M+CH3COO]-	403.19900	223.4
[M+Na-2H]-	365.15982	197.3
[M]+	344.18460	202.7
[M]-	344.18570	202.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.