CID 206721

Preparation 141

Structural Information

Molecular Formula
C20H28N5O2P
SMILES
CC1=C(C(=NC(=N1)C)NP(=O)(N2CC2)N3CC3)CC4=CC=C(C=C4)OC(C)C
InChI
InChI=1S/C20H28N5O2P/c1-14(2)27-18-7-5-17(6-8-18)13-19-15(3)21-16(4)22-20(19)23-28(26,24-9-10-24)25-11-12-25/h5-8,14H,9-13H2,1-4H3,(H,21,22,23,26)
InChIKey
FTNFEHXDETWERN-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-2,6-dimethyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

936
Patents

401.19806 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.20534 174.0
[M+Na]+ 424.18728 187.2
[M+NH4]+ 419.23188 179.6
[M+K]+ 440.16122 185.7
[M-H]- 400.19078 189.0
[M+Na-2H]- 422.17273 185.6
[M]+ 401.19751 182.0
[M]- 401.19861 182.0
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

patents stripe