CID 40731

Cydrin

Structural Information

Molecular Formula
C14H28Cl4N6O2S2
SMILES
C(CCl)N(CCCl)NC(=O)[C@H](CSSC[C@@H](C(=O)NN(CCCl)CCCl)N)N
InChI
InChI=1S/C14H28Cl4N6O2S2/c15-1-5-23(6-2-16)21-13(25)11(19)9-27-28-10-12(20)14(26)22-24(7-3-17)8-4-18/h11-12H,1-10,19-20H2,(H,21,25)(H,22,26)/t11-,12-/m0/s1
InChIKey
LHBMPUSGGVXAEW-RYUDHWBXSA-N
Compound name
(2R)-2-amino-3-[[(2R)-2-amino-3-[2,2-bis(2-chloroethyl)hydrazinyl]-3-oxopropyl]disulfanyl]-N',N'-bis(2-chloroethyl)propanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.04694 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.05422 205.5
[M+Na]+ 539.03616 203.1
[M-H]- 515.03966 203.3
[M+NH4]+ 534.08076 212.2
[M+K]+ 555.01010 198.4
[M+H-H2O]+ 499.04420 201.7
[M+HCOO]- 561.04514 199.0
[M+CH3COO]- 575.06079 251.5
[M+Na-2H]- 537.02161 198.6
[M]+ 516.04639 208.5
[M]- 516.04749 208.5
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.