CID 462136

6-[[(6-heptyl-2-naphthyl)amino]methyl]pteridine-2,4-diamine

Structural Information

Molecular Formula
C24H29N7
SMILES
CCCCCCCC1=CC2=C(C=C1)C=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N
InChI
InChI=1S/C24H29N7/c1-2-3-4-5-6-7-16-8-9-18-13-19(11-10-17(18)12-16)27-14-20-15-28-23-21(29-20)22(25)30-24(26)31-23/h8-13,15,27H,2-7,14H2,1H3,(H4,25,26,28,30,31)
InChIKey
VCBKVZKYUTYNRC-UHFFFAOYSA-N
Compound name
6-[[(6-heptylnaphthalen-2-yl)amino]methyl]pteridine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.24844 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.25572 204.7
[M+Na]+ 438.23766 212.6
[M-H]- 414.24116 206.9
[M+NH4]+ 433.28226 210.5
[M+K]+ 454.21160 203.1
[M+H-H2O]+ 398.24570 191.9
[M+HCOO]- 460.24664 222.6
[M+CH3COO]- 474.26229 211.5
[M+Na-2H]- 436.22311 211.5
[M]+ 415.24789 206.0
[M]- 415.24899 206.0
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.