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]+ 367.06206 187.6
[M+Na]+ 389.04400 190.5
[M-H]- 365.04750 186.2
[M+NH4]+ 384.08860 200.9
[M+K]+ 405.01794 186.4
[M+H-H2O]+ 349.05204 183.4
[M+HCOO]- 411.05298 193.6
[M+CH3COO]- 425.06863 226.1
[M+Na-2H]- 387.02945 186.0
[M]+ 366.05423 191.7
[M]- 366.05533 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.