CID 135770307

Brn 4201108

Structural Information

Molecular Formula
C13H19Cl2N5O
SMILES
C/C(=N\N)/C(=NC1=CC=C(C=C1)N(CCCl)CCCl)NO
InChI
InChI=1S/C13H19Cl2N5O/c1-10(18-16)13(19-21)17-11-2-4-12(5-3-11)20(8-6-14)9-7-15/h2-5,21H,6-9,16H2,1H3,(H,17,19)/b18-10+
InChIKey
XPPHSIUSSBOFCY-VCHYOVAHSA-N
Compound name
(2E)-N'-[4-[bis(2-chloroethyl)amino]phenyl]-2-hydrazinylidene-N-hydroxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.09668 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10396 180.1
[M+Na]+ 354.08590 184.3
[M-H]- 330.08940 184.6
[M+NH4]+ 349.13050 194.7
[M+K]+ 370.05984 180.5
[M+H-H2O]+ 314.09394 173.3
[M+HCOO]- 376.09488 198.8
[M+CH3COO]- 390.11053 222.8
[M+Na-2H]- 352.07135 181.5
[M]+ 331.09613 182.2
[M]- 331.09723 182.2
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.