CID 130567

T1551

Structural Information

Molecular Formula
C16H23N5O
SMILES
CCCCCN=C(N)NN=CC1=CNC2=C1C=C(C=C2)CO
InChI
InChI=1S/C16H23N5O/c1-2-3-4-7-18-16(17)21-20-10-13-9-19-15-6-5-12(11-22)8-14(13)15/h5-6,8-10,19,22H,2-4,7,11H2,1H3,(H3,17,18,21)
InChIKey
HXYYJPLPXWLAMQ-UHFFFAOYSA-N
Compound name
1-[[5-(hydroxymethyl)-1H-indol-3-yl]methylideneamino]-2-pentylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1755
References

4673
Patents

301.19025 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19753 169.4
[M+Na]+ 324.17947 174.8
[M-H]- 300.18297 172.2
[M+NH4]+ 319.22407 184.9
[M+K]+ 340.15341 170.1
[M+H-H2O]+ 284.18751 160.7
[M+HCOO]- 346.18845 195.5
[M+CH3COO]- 360.20410 213.5
[M+Na-2H]- 322.16492 174.2
[M]+ 301.18970 169.4
[M]- 301.19080 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe