CID 364435

Amchlorguanidine

Structural Information

Molecular Formula
C25H26ClN7O3S
SMILES
CN(C)CCNC(=O)C1=CC=C(C2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)Cl
InChI
InChI=1S/C25H26ClN7O3S/c1-33(2)14-13-29-24(34)18-11-12-19(26)21-22(17-5-3-4-6-20(17)31-23(18)21)30-15-7-9-16(10-8-15)37(35,36)32-25(27)28/h3-12H,13-14H2,1-2H3,(H,29,34)(H,30,31)(H4,27,28,32)
InChIKey
GSVHSPKUXCMLES-UHFFFAOYSA-N
Compound name
1-chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.15063 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.15791 221.9
[M+Na]+ 562.13985 227.4
[M-H]- 538.14335 230.1
[M+NH4]+ 557.18445 227.9
[M+K]+ 578.11379 222.5
[M+H-H2O]+ 522.14789 212.4
[M+HCOO]- 584.14883 236.5
[M+CH3COO]- 598.16448 265.0
[M+Na-2H]- 560.12530 228.5
[M]+ 539.15008 227.7
[M]- 539.15118 227.7
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.