CID 148898

1,1'-ethylenebis-cnu

Structural Information

Molecular Formula
C8H14Cl2N6O4
SMILES
C(CNC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C8H14Cl2N6O4/c9-1-5-15(13-19)7(17)11-3-4-12-8(18)16(14-20)6-2-10/h1-6H2,(H,11,17)(H,12,18)
InChIKey
OIHYLWQDBIGDNN-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[2-[[2-chloroethyl(nitroso)carbamoyl]amino]ethyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.04535 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05263 169.2
[M+Na]+ 351.03457 173.1
[M+NH4]+ 346.07917 172.8
[M+K]+ 367.00851 170.4
[M-H]- 327.03807 168.9
[M+Na-2H]- 349.02002 170.6
[M]+ 328.04480 169.2
[M]- 328.04590 169.2
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

No patent data available for this compound.