CID 135429816

Nsc67607

Structural Information

Molecular Formula
C26H38N4O2
SMILES
CCCCCCCCCCCCOC1=CC(=C(C=C1)/C(=N/N=C(N)N)/C2=CC=CC=C2)O
InChI
InChI=1S/C26H38N4O2/c1-2-3-4-5-6-7-8-9-10-14-19-32-22-17-18-23(24(31)20-22)25(29-30-26(27)28)21-15-12-11-13-16-21/h11-13,15-18,20,31H,2-10,14,19H2,1H3,(H4,27,28,30)/b29-25+
InChIKey
SFKBCHSNVQZYJD-XLVZBRSZSA-N
Compound name
2-[(E)-[(4-dodecoxy-2-hydroxyphenyl)-phenylmethylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.29947 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.30675 212.6
[M+Na]+ 461.28869 212.5
[M-H]- 437.29219 217.5
[M+NH4]+ 456.33329 220.4
[M+K]+ 477.26263 207.6
[M+H-H2O]+ 421.29673 201.3
[M+HCOO]- 483.29767 235.9
[M+CH3COO]- 497.31332 244.7
[M+Na-2H]- 459.27414 210.7
[M]+ 438.29892 213.6
[M]- 438.30002 213.6
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.