CID 115995

2-chloro-4,6-bis(3-diethylaminopropylamino)-1,3,5-triazine, dihydrochloride

Structural Information

Molecular Formula
C17H34ClN7
SMILES
CCN(CC)CCCNC1=NC(=NC(=N1)Cl)NCCCN(CC)CC
InChI
InChI=1S/C17H34ClN7/c1-5-24(6-2)13-9-11-19-16-21-15(18)22-17(23-16)20-12-10-14-25(7-3)8-4/h5-14H2,1-4H3,(H2,19,20,21,22,23)
InChIKey
UTAUSUCGZYPCFU-UHFFFAOYSA-N
Compound name
6-chloro-2-N,4-N-bis[3-(diethylamino)propyl]-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

371.2564 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.26368 194.8
[M+Na]+ 394.24562 198.2
[M-H]- 370.24912 195.9
[M+NH4]+ 389.29022 204.3
[M+K]+ 410.21956 194.7
[M+H-H2O]+ 354.25366 183.8
[M+HCOO]- 416.25460 213.2
[M+CH3COO]- 430.27025 235.8
[M+Na-2H]- 392.23107 197.3
[M]+ 371.25585 201.4
[M]- 371.25695 201.4
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

patents stripe