CID 210321

Spirotriazine hydrochloride

Structural Information

Molecular Formula
C15H20ClN5
SMILES
CC1CCC2(CC1)N=C(N=C(N2C3=CC=C(C=C3)Cl)N)N
InChI
InChI=1S/C15H20ClN5/c1-10-6-8-15(9-7-10)20-13(17)19-14(18)21(15)12-4-2-11(16)3-5-12/h2-5,10H,6-9H2,1H3,(H4,17,18,19,20)
InChIKey
VVMKZMXFFVPKJM-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-9-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

305.14072 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14800 170.4
[M+Na]+ 328.12994 184.1
[M+NH4]+ 323.17454 179.7
[M+K]+ 344.10388 174.6
[M-H]- 304.13344 175.7
[M+Na-2H]- 326.11539 179.3
[M]+ 305.14017 174.2
[M]- 305.14127 174.2
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

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