CID 419052

Rh2ov4nmx3

Structural Information

Molecular Formula
C21H28N6
SMILES
CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=CC=C3)N)N)N)C
InChI
InChI=1S/C21H28N6/c1-21(2)26-19(23)25-20(24)27(21)18-12-6-10-16(14-18)8-4-3-7-15-9-5-11-17(22)13-15/h5-6,9-14H,3-4,7-8,22H2,1-2H3,(H4,23,24,25,26)
InChIKey
WNZMAGKIGDUEIH-UHFFFAOYSA-N
Compound name
1-[3-[4-(3-aminophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.23755 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.24483 192.8
[M+Na]+ 387.22677 200.0
[M-H]- 363.23027 197.6
[M+NH4]+ 382.27137 201.9
[M+K]+ 403.20071 192.6
[M+H-H2O]+ 347.23481 181.4
[M+HCOO]- 409.23575 211.9
[M+CH3COO]- 423.25140 200.9
[M+Na-2H]- 385.21222 195.1
[M]+ 364.23700 189.4
[M]- 364.23810 189.4
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.