CID 3061205

Lu 15-132

Structural Information

Molecular Formula
C22H29ClN4O2
SMILES
CN(C)CCCC(CNC(=O)N(CCCl)N=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C22H29ClN4O2/c1-26(2)16-9-14-22(19-10-5-3-6-11-19,20-12-7-4-8-13-20)18-24-21(28)27(25-29)17-15-23/h3-8,10-13H,9,14-18H2,1-2H3,(H,24,28)
InChIKey
MPWUFXVBYDZWBS-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[5-(dimethylamino)-2,2-diphenylpentyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

416.1979 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.20518 203.8
[M+Na]+ 439.18712 205.4
[M-H]- 415.19062 212.7
[M+NH4]+ 434.23172 214.8
[M+K]+ 455.16106 202.7
[M+H-H2O]+ 399.19516 193.6
[M+HCOO]- 461.19610 225.6
[M+CH3COO]- 475.21175 240.7
[M+Na-2H]- 437.17257 207.3
[M]+ 416.19735 209.7
[M]- 416.19845 209.7
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