CID 4339838

111324-04-0

Structural Information

Molecular Formula
C22H63N13P4
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

compound 2d structure
1
Annotation Hits

0
References

540
Patents

633.428 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 634.43528 248.8
[M+Na]+ 656.41722 278.8
[M-H]- 632.42072 284.0
[M+NH4]+ 651.46182 280.3
[M+K]+ 672.39116 270.2
[M+H-H2O]+ 616.42526 226.2
[M+HCOO]- 678.42620 249.7
[M+CH3COO]- 692.44185 326.2
[M+Na-2H]- 654.40267 246.1
[M]+ 633.42745 238.0
[M]- 633.42855 238.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe