CID 3008702

1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine, 9-methyl-5-(1-naphthalenylmethoxy)-

Structural Information

Molecular Formula
C20H25N5O
SMILES
CC1CCC2(CC1)N=C(N=C(N2OCC3=CC=CC4=CC=CC=C43)N)N
InChI
InChI=1S/C20H25N5O/c1-14-9-11-20(12-10-14)24-18(21)23-19(22)25(20)26-13-16-7-4-6-15-5-2-3-8-17(15)16/h2-8,14H,9-13H2,1H3,(H4,21,22,23,24)
InChIKey
AOHDNJKSPUPWPJ-UHFFFAOYSA-N
Compound name
9-methyl-5-(naphthalen-1-ylmethoxy)-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

351.2059 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21318 186.5
[M+Na]+ 374.19512 192.8
[M-H]- 350.19862 190.4
[M+NH4]+ 369.23972 197.3
[M+K]+ 390.16906 186.2
[M+H-H2O]+ 334.20316 174.4
[M+HCOO]- 396.20410 200.9
[M+CH3COO]- 410.21975 194.2
[M+Na-2H]- 372.18057 190.9
[M]+ 351.20535 180.4
[M]- 351.20645 180.4
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.