CID 3057053

73940-98-4

Structural Information

Molecular Formula
C15H20ClN5
SMILES
CC1CCCC2(C1)N=C(N=C(N2C3=CC=C(C=C3)Cl)N)N
InChI
InChI=1S/C15H20ClN5/c1-10-3-2-8-15(9-10)20-13(17)19-14(18)21(15)12-6-4-11(16)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H4,17,18,19,20)
InChIKey
KPIUBVVOOXRTTD-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-10-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

0
Patents

305.14072 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.14800 172.9
[M+Na]+ 328.12994 180.9
[M-H]- 304.13344 176.3
[M+NH4]+ 323.17454 186.0
[M+K]+ 344.10388 174.0
[M+H-H2O]+ 288.13798 163.0
[M+HCOO]- 350.13892 184.7
[M+CH3COO]- 364.15457 182.0
[M+Na-2H]- 326.11539 176.1
[M]+ 305.14017 167.1
[M]- 305.14127 167.1
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

No patent data available for this compound.