CID 9578353

Tr 35

Structural Information

Molecular Formula
C18H25N7
SMILES
CC(C)(C)C1=NC(=NC(=N1)N2CCNCC2)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C18H25N7/c1-18(2,3)15-21-16(24-20-13-14-7-5-4-6-8-14)23-17(22-15)25-11-9-19-10-12-25/h4-8,13,19H,9-12H2,1-3H3,(H,21,22,23,24)/b20-13+
InChIKey
XVCMDVYCTPUVIL-DEDYPNTBSA-N
Compound name
N-[(E)-benzylideneamino]-4-tert-butyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

339.21713 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22441 186.8
[M+Na]+ 362.20635 190.9
[M-H]- 338.20985 188.7
[M+NH4]+ 357.25095 192.1
[M+K]+ 378.18029 184.1
[M+H-H2O]+ 322.21439 173.9
[M+HCOO]- 384.21533 200.4
[M+CH3COO]- 398.23098 193.3
[M+Na-2H]- 360.19180 193.0
[M]+ 339.21658 180.8
[M]- 339.21768 180.8
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

patents stripe