CID 3052344

68665-09-8

Structural Information

Molecular Formula
C20H25Cl2N3O2
SMILES
CC(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=C2C=CC=C2)O
InChI
InChI=1S/C20H25Cl2N3O2/c1-15(26)23-19(24-20(27)17-4-2-3-5-17)14-16-6-8-18(9-7-16)25(12-10-21)13-11-22/h2-9,19,24,27H,10-14H2,1H3,(H,23,26)
InChIKey
YOWNAKJHQLZMQG-UHFFFAOYSA-N
Compound name
N-[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-[[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]amino]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.1324 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.13968 201.2
[M+Na]+ 432.12162 203.9
[M-H]- 408.12512 206.2
[M+NH4]+ 427.16622 213.4
[M+K]+ 448.09556 197.7
[M+H-H2O]+ 392.12966 193.8
[M+HCOO]- 454.13060 214.7
[M+CH3COO]- 468.14625 228.0
[M+Na-2H]- 430.10707 198.1
[M]+ 409.13185 204.0
[M]- 409.13295 204.0
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.