CID 15950

Ipazine

Structural Information

Molecular Formula
C10H18ClN5
SMILES
CCN(CC)C1=NC(=NC(=N1)NC(C)C)Cl
InChI
InChI=1S/C10H18ClN5/c1-5-16(6-2)10-14-8(11)13-9(15-10)12-7(3)4/h7H,5-6H2,1-4H3,(H,12,13,14,15)
InChIKey
OWYWGLHRNBIFJP-UHFFFAOYSA-N
Compound name
6-chloro-2-N,2-N-diethyl-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

33
References

67687
Patents

243.12508 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.132356 156.3
[M+Na]+ 266.114298 164.1
[M-H]- 242.117804 157.2
[M+NH4]+ 261.158903 171.0
[M+K]+ 282.088238 161.3
[M+H-H2O]+ 226.122340 147.7
[M+HCOO]- 288.123281 173.4
[M+CH3COO]- 302.138931 202.6
[M+Na-2H]- 264.099746 161.0
[M]+ 243.12453142 159.9
[M]- 243.12562858 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe