CID 3045035

58050-48-9

Structural Information

Molecular Formula
C11H22Cl4N4O
SMILES
C(CCl)N(CCCl)CNC(=O)NCN(CCCl)CCCl
InChI
InChI=1S/C11H22Cl4N4O/c12-1-5-18(6-2-13)9-16-11(20)17-10-19(7-3-14)8-4-15/h1-10H2,(H2,16,17,20)
InChIKey
ZTTBHWVBDNKWTQ-UHFFFAOYSA-N
Compound name
1,3-bis[bis(2-chloroethyl)aminomethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.05478 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.062056 187.6
[M+Na]+ 389.043998 190.5
[M-H]- 365.047504 186.2
[M+NH4]+ 384.088603 200.9
[M+K]+ 405.017938 186.4
[M+H-H2O]+ 349.052040 183.4
[M+HCOO]- 411.052981 193.6
[M+CH3COO]- 425.068631 226.1
[M+Na-2H]- 387.029446 186.0
[M]+ 366.05423142 191.7
[M]- 366.05532858 191.7
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

No patent data available for this compound.