CID 56843875

22936-69-2

Structural Information

Molecular Formula
C10H18ClN5
SMILES
CCNC1=NC(=NC(=N1)Cl)NC(C)C(C)C
InChI
InChI=1S/C10H18ClN5/c1-5-12-9-14-8(11)15-10(16-9)13-7(4)6(2)3/h6-7H,5H2,1-4H3,(H2,12,13,14,15,16)
InChIKey
KUSIBZBALUOJHM-UHFFFAOYSA-N
Compound name
6-chloro-4-N-ethyl-2-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

243.12508 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13236 155.1
[M+Na]+ 266.11430 166.4
[M+NH4]+ 261.15890 161.6
[M+K]+ 282.08824 160.8
[M-H]- 242.11780 156.0
[M+Na-2H]- 264.09975 160.5
[M]+ 243.12453 157.0
[M]- 243.12563 157.0
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

patents stripe