CID 3008707

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

Structural Information

Molecular Formula
C21H27N5O
SMILES
CC1CCC2(CC1)N=C(N=C(N2OCC3=CC=C(C4=CC=CC=C34)C)N)N
InChI
InChI=1S/C21H27N5O/c1-14-9-11-21(12-10-14)25-19(22)24-20(23)26(21)27-13-16-8-7-15(2)17-5-3-4-6-18(16)17/h3-8,14H,9-13H2,1-2H3,(H4,22,23,24,25)
InChIKey
ASSXLMZLMXSWBG-UHFFFAOYSA-N
Compound name
9-methyl-5-[(4-methylnaphthalen-1-yl)methoxy]-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

365.22156 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.22884 192.1
[M+Na]+ 388.21078 198.9
[M-H]- 364.21428 196.2
[M+NH4]+ 383.25538 202.6
[M+K]+ 404.18472 192.1
[M+H-H2O]+ 348.21882 180.1
[M+HCOO]- 410.21976 206.1
[M+CH3COO]- 424.23541 199.7
[M+Na-2H]- 386.19623 195.2
[M]+ 365.22101 186.7
[M]- 365.22211 186.7
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.