PubChemLite - 73348-53-5 (C36H58NO2P)

Structural Information

Molecular Formula

SMILES

CCCCN(CCCC)P1OC2=C(C=C(C=C2C(C)(C)C)C(C)(C)C)C3=C(O1)C(=CC(=C3)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C36H58NO2P/c1-15-17-19-37(20-18-16-2)40-38-31-27(21-25(33(3,4)5)23-29(31)35(9,10)11)28-22-26(34(6,7)8)24-30(32(28)39-40)36(12,13)14/h21-24H,15-20H2,1-14H3

InChIKey

DNHKMKNEVOOJMY-UHFFFAOYSA-N

Compound name

N,N-dibutyl-2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-amine

Related CIDs

2D Structure

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]+	568.42781	260.5
[M+Na]+	590.40975	269.7
[M+NH4]+	585.45435	264.6
[M+K]+	606.38369	263.7
[M-H]-	566.41325	264.2
[M+Na-2H]-	588.39520	260.4
[M]+	567.41998	263.5
[M]-	567.42108	263.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

568.42781

260.5

[M+Na]+

590.40975

269.7

[M+NH4]+

585.45435

264.6

[M+K]+

606.38369

263.7

[M-H]-

566.41325

264.2

[M+Na-2H]-

588.39520

260.4

[M]+

567.41998

263.5

[M]-

567.42108

263.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

73348-53-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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