CID 379857

Nsc664993

Structural Information

Molecular Formula
C21H26Cl2N4O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC(=C(C(=C3)Cl)N)Cl
InChI
InChI=1S/C21H26Cl2N4O2/c1-29-19-6-3-2-5-18(19)27-11-9-26(10-12-27)8-4-7-25-21(28)15-13-16(22)20(24)17(23)14-15/h2-3,5-6,13-14H,4,7-12,24H2,1H3,(H,25,28)
InChIKey
UCGWLRAHZIJPNH-UHFFFAOYSA-N
Compound name
4-amino-3,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.14328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.15056 203.9
[M+Na]+ 459.13250 209.4
[M-H]- 435.13600 208.7
[M+NH4]+ 454.17710 211.2
[M+K]+ 475.10644 202.0
[M+H-H2O]+ 419.14054 193.6
[M+HCOO]- 481.14148 211.6
[M+CH3COO]- 495.15713 231.5
[M+Na-2H]- 457.11795 202.0
[M]+ 436.14273 204.4
[M]- 436.14383 204.4
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.