CID 13950063

114209-49-3

Structural Information

Molecular Formula
C7H10ClN5O
SMILES
C1COCCN1C2=NC(=NC(=N2)N)Cl
InChI
InChI=1S/C7H10ClN5O/c8-5-10-6(9)12-7(11-5)13-1-3-14-4-2-13/h1-4H2,(H2,9,10,11,12)
InChIKey
IVJTYIASKMMHPK-UHFFFAOYSA-N
Compound name
4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

215.05739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06467 146.7
[M+Na]+ 238.04661 155.0
[M-H]- 214.05011 147.6
[M+NH4]+ 233.09121 158.5
[M+K]+ 254.02055 151.8
[M+H-H2O]+ 198.05465 136.8
[M+HCOO]- 260.05559 158.5
[M+CH3COO]- 274.07124 157.4
[M+Na-2H]- 236.03206 153.2
[M]+ 215.05684 143.9
[M]- 215.05794 143.9
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