CID 3046336

Brn 0947305

Structural Information

Molecular Formula
C23H33Cl2N5O2
SMILES
CCCCN1C(=NC(=C1C(=O)N)NC(=O)CC2=CC=C(C=C2)N(CCCl)CCCl)CCC
InChI
InChI=1S/C23H33Cl2N5O2/c1-3-5-13-30-19(6-4-2)27-23(21(30)22(26)32)28-20(31)16-17-7-9-18(10-8-17)29(14-11-24)15-12-25/h7-10H,3-6,11-16H2,1-2H3,(H2,26,32)(H,28,31)
InChIKey
GDVQHUAAGKICGH-UHFFFAOYSA-N
Compound name
5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]-3-butyl-2-propylimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.20114 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.20842 217.4
[M+Na]+ 504.19036 226.2
[M+NH4]+ 499.23496 221.3
[M+K]+ 520.16430 220.8
[M-H]- 480.19386 219.5
[M+Na-2H]- 502.17581 220.1
[M]+ 481.20059 219.3
[M]- 481.20169 219.3
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.