PubChemLite - 111324-04-0 (C22H63N13P4)

Structural Information

Molecular Formula

SMILES

CC(C)(C)N=P(N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N=P(N(C)C)(N(C)C)N(C)C

InChI

InChI=1S/C22H63N13P4/c1-22(2,3)23-36(24-37(27(4)5,28(6)7)29(8)9,25-38(30(10)11,31(12)13)32(14)15)26-39(33(16)17,34(18)19)35(20)21/h1-21H3

InChIKey

NSRBCQCXZAYQHF-UHFFFAOYSA-N

Compound name

N-[[tert-butylimino-bis[[tris(dimethylamino)-lambda5-phosphanylidene]amino]-lambda5-phosphanyl]imino-bis(dimethylamino)-lambda5-phosphanyl]-N-methylmethanamine

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]+	634.43528	295.4
[M+Na]+	656.41722	297.1
[M+NH4]+	651.46182	302.0
[M+K]+	672.39116	299.4
[M-H]-	632.42072	293.9
[M+Na-2H]-	654.40267	285.5
[M]+	633.42745	297.4
[M]-	633.42855	297.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

634.43528

295.4

[M+Na]+

656.41722

297.1

[M+NH4]+

651.46182

302.0

[M+K]+

672.39116

299.4

[M-H]-

632.42072

293.9

[M+Na-2H]-

654.40267

285.5

[M]+

633.42745

297.4

[M]-

633.42855

297.4

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

111324-04-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe