CID 16074309

1-(aminomethyl)-n6-(1h-indazol-6-yl)-n2,n4-diisopropyl-2h-1,3,5-triazine-2,4,6-triamine

Structural Information

Molecular Formula
C17H27N9
SMILES
CC(C)NC1N=C(N=C(N1CN)NC2=CC3=C(C=C2)C=NN3)NC(C)C
InChI
InChI=1S/C17H27N9/c1-10(2)20-15-23-16(21-11(3)4)26(9-18)17(24-15)22-13-6-5-12-8-19-25-14(12)7-13/h5-8,10-11,16,21H,9,18H2,1-4H3,(H,19,25)(H2,20,22,23,24)
InChIKey
JQPRDWCLNGWKCK-UHFFFAOYSA-N
Compound name
1-(aminomethyl)-6-N-(1H-indazol-6-yl)-2-N,4-N-di(propan-2-yl)-2H-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.23895 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.24623 185.9
[M+Na]+ 380.22817 192.0
[M-H]- 356.23167 186.7
[M+NH4]+ 375.27277 193.3
[M+K]+ 396.20211 186.1
[M+H-H2O]+ 340.23621 175.1
[M+HCOO]- 402.23715 203.5
[M+CH3COO]- 416.25280 193.3
[M+Na-2H]- 378.21362 189.7
[M]+ 357.23840 183.5
[M]- 357.23950 183.5
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.